2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide

C17H19N3O2S — CID 51049231

IUPAC2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NC2CC2)s1
InChIInChI=1S/C17H19N3O2S/c1-11-15(16(22)19-14-8-9-14)23-17(18-11)20(12(2)21)10-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,22)
InChIKeyDFXROQSOXSMPBT-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.90
Rot. Bonds5

About 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide

2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51049231) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51049231
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NC2CC2)s1
InChIInChI=1S/C17H19N3O2S/c1-11-15(16(22)19-14-8-9-14)23-17(18-11)20(12(2)21)10-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,22)
InChIKeyDFXROQSOXSMPBT-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51043963
2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044326
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044205
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675305
ethyl 2-[benzyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55493868
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
ethyl 2-[benzyl-[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39963842
2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide
CID 91206014
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide (CID 51049231) is 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NC2CC2)s1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DFXROQSOXSMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-15(16(22)19-14-8-9-14)23-17(18-11)20(12(2)21)10-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide?
2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51049231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).