2719-23-5
2719-23-5
2-Acetamidothiazole
Synonyms
- 2-Acetamidothiazole
- 2719-23-5
- 2-Acetylaminothiazole
- N-(thiazol-2-yl)acetamide
- N-(1,3-Thiazol-2-yl)acetamide
Molecular Formula
C5H6N2OS
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Molecular Formula
C5H6N2OS
Iupac Name
N-(1,3-thiazol-2-yl)acetamide
Dtp Nci Cas Number
2719-23-5
Canonical Smiles
CC(=O)NC1=NC=CS1
StdInChi
InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
StdInChiKey
WXPLRSVMGRAIGW-UHFFFAOYSA-N
Appearance
Not Available
Molecular Weight
142.18
Exact Mass
142.02008399
Average Mass
142.179 Da
Monoisotopic Mass
142.02008399
Experimental Boiling Point
248.7 °C
Experimental Melting Point
207 °C
Density
1.4±0.1 g/cm3
Refractive Index
1.621
Molar Refractivity
37.0±0.3 cm3
Polar Surface Area
70.2 Ų
Polarizability
14.7±0.5 10-24cm3
Surface Tension
56.4±3.0 dyne/cm
Molar Volume
105.2±3.0 cm3
Experimental Logp
-0.152
Acd LogP
0.76
Acd LogD Ph55
0.81
Acd Bcf Ph55
2.44
Acd Koc Ph55
65.81
Acd LogD Ph74
0.81
Acd Bcf Ph74
2.43
Acd Koc Ph74
65.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
3
H Bond Donors
1
Freely Rotating Bonds
1
Rule of 5 Violations
0
Formal Charge
0
Complexity
118
Compound is Canonicalized
Yes
Related Article(s)
Amines: Synthesis, classification, biochemical significance, applications and hazardsJul 18, 2022
Amines are the compounds that have nitrogen atoms with a lone pair. They are either gaseous when they are at room temperature or vaporized when they are heated quickly. They have a fishy smell at low molecular weight.
Amides: Nomenclature, classification, natural sources, synthesis and applicationsJul 16, 2022
Amide is a nitrogen-containing molecule that derives from ammonia or an amine. As a functional group, amides consist of a carbonyl group joined to a nitrogen atom. Carboxylic acids and amines react to produce amides.