3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H11ClN2O2S — CID 17361583

IUPAC3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)cs2)cc1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-7-6-18-12(14-7)15-11(16)8-3-4-10(17-2)9(13)5-8/h3-6H,1-2H3,(H,14,15,16)
InChIKeyAHFVFMCDQYJBKA-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.37
Rot. Bonds3

About 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 17361583) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID17361583
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)cs2)cc1Cl
InChIInChI=1S/C12H11ClN2O2S/c1-7-6-18-12(14-7)15-11(16)8-3-4-10(17-2)9(13)5-8/h3-6H,1-2H3,(H,14,15,16)
InChIKeyAHFVFMCDQYJBKA-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
3-acetamido-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110764330
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 17361583) is 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc(C)cs2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AHFVFMCDQYJBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-6-18-12(14-7)15-11(16)8-3-4-10(17-2)9(13)5-8/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 282.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).