N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide

C9H12N2O2S — CID 19183925

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C9H12N2O2S/c1-4-7(13)11-9-10-5(2)8(14-9)6(3)12/h4H2,1-3H3,(H,10,11,13)
InChIKeyNJNQAMDADHOJDZ-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.00
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 19183925) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID19183925
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C9H12N2O2S/c1-4-7(13)11-9-10-5(2)8(14-9)6(3)12/h4H2,1-3H3,(H,10,11,13)
InChIKeyNJNQAMDADHOJDZ-UHFFFAOYSA-N
XLogP2.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 43853851
prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
CID 110441292
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide
CID 82531524
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254698
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-cyanoethylsulfanyl)acetamide
CID 82531366
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849339
N-(2-chlorophenyl)-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 857290
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 19178514
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108808019
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768366

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide (CID 19183925) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1nc(C)c(C(C)=O)s1.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is NJNQAMDADHOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-4-7(13)11-9-10-5(2)8(14-9)6(3)12/h4H2,1-3H3,(H,10,11,13).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 212.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 19183925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).