N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide

C13H12N2O3S — CID 64544456

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(C)c(O)c2)n1
InChIInChI=1S/C13H12N2O3S/c1-7-3-4-9(5-11(7)17)12(18)15-13-14-10(6-19-13)8(2)16/h3-6,17H,1-2H3,(H,14,15,18)
InChIKeyWCFSWRORWNWJIT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.61
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide (PubChem CID 64544456) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
PubChem CID64544456
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(C)c(O)c2)n1
InChIInChI=1S/C13H12N2O3S/c1-7-3-4-9(5-11(7)17)12(18)15-13-14-10(6-19-13)8(2)16/h3-6,17H,1-2H3,(H,14,15,18)
InChIKeyWCFSWRORWNWJIT-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
CID 81003654
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
CID 82832519
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
CID 78820705
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
CID 51248167
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 26469303

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide (CID 64544456) is N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide is CC(=O)c1csc(NC(=O)c2ccc(C)c(O)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide?
The InChIKey is WCFSWRORWNWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-3-4-9(5-11(7)17)12(18)15-13-14-10(6-19-13)8(2)16/h3-6,17H,1-2H3,(H,14,15,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide has a molecular weight of 276.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 64544456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).