N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide

C15H16N2O2S — CID 24555772

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H16N2O2S/c1-9(2)11-4-6-12(7-5-11)14(19)17-15-16-13(8-20-15)10(3)18/h4-9H,1-3H3,(H,16,17,19)
InChIKeyUPXAOMKGDBLQIZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.72
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (PubChem CID 24555772) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
PubChem CID24555772
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H16N2O2S/c1-9(2)11-4-6-12(7-5-11)14(19)17-15-16-13(8-20-15)10(3)18/h4-9H,1-3H3,(H,16,17,19)
InChIKeyUPXAOMKGDBLQIZ-UHFFFAOYSA-N
XLogP3.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
CID 82832519
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 1406508
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
CID 81003654
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (CID 24555772) is N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide is CC(=O)c1csc(NC(=O)c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is UPXAOMKGDBLQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9(2)11-4-6-12(7-5-11)14(19)17-15-16-13(8-20-15)10(3)18/h4-9H,1-3H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 288.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 24555772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).