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

C13H11ClN2O3S — CID 47450057

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1nc(C(C)=O)cs1
InChIInChI=1S/C13H11ClN2O3S/c1-7(17)10-6-20-13(15-10)16-12(18)9-4-3-8(14)5-11(9)19-2/h3-6H,1-2H3,(H,15,16,18)
InChIKeyGVZJZHBISNWLKQ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.26
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide (PubChem CID 47450057) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
PubChem CID47450057
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1nc(C(C)=O)cs1
InChIInChI=1S/C13H11ClN2O3S/c1-7(17)10-6-20-13(15-10)16-12(18)9-4-3-8(14)5-11(9)19-2/h3-6H,1-2H3,(H,15,16,18)
InChIKeyGVZJZHBISNWLKQ-UHFFFAOYSA-N
XLogP3.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
5-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 43322612
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
4-chloro-2-fluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046723
N-[4-[2-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55792061
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 43140311
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746
5-chloro-2-hydroxy-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046812
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902
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)-4-chloro-2-methoxybenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide (CID 47450057) is N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)Nc1nc(C(C)=O)cs1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide?
The InChIKey is GVZJZHBISNWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-7(17)10-6-20-13(15-10)16-12(18)9-4-3-8(14)5-11(9)19-2/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide has a molecular weight of 310.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 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)-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 47450057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).