N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide

C13H11ClN2O2S — CID 81003654

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2cc(C)cc(Cl)c2)n1
InChIInChI=1S/C13H11ClN2O2S/c1-7-3-9(5-10(14)4-7)12(18)16-13-15-11(6-19-13)8(2)17/h3-6H,1-2H3,(H,15,16,18)
InChIKeyWSLYPPZEBMHGRM-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.56
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide (PubChem CID 81003654) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
PubChem CID81003654
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2cc(C)cc(Cl)c2)n1
InChIInChI=1S/C13H11ClN2O2S/c1-7-3-9(5-10(14)4-7)12(18)16-13-15-11(6-19-13)8(2)17/h3-6H,1-2H3,(H,15,16,18)
InChIKeyWSLYPPZEBMHGRM-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
CID 82832519
3,5-dichloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77047033
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619701
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
CID 78820705
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide (CID 81003654) is N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide is CC(=O)c1csc(NC(=O)c2cc(C)cc(Cl)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide?
The InChIKey is WSLYPPZEBMHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-7-3-9(5-10(14)4-7)12(18)16-13-15-11(6-19-13)8(2)17/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide has a molecular weight of 294.76 g/mol, XLogP of 3.56, 3 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)-3-chloro-5-methylbenzamide is sourced from PubChem (CID 81003654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).