2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H11ClN2OS2 — CID 973569

IUPAC2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C12H11ClN2OS2/c1-7-6-18-12(14-7)15-11(16)9-5-8(17-2)3-4-10(9)13/h3-6H,1-2H3,(H,14,15,16)
InChIKeySLAPDBVKBCTSNJ-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.08
Rot. Bonds3

About 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 973569) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID973569
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C12H11ClN2OS2/c1-7-6-18-12(14-7)15-11(16)9-5-8(17-2)3-4-10(9)13/h3-6H,1-2H3,(H,14,15,16)
InChIKeySLAPDBVKBCTSNJ-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 26243504
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914930
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 134018376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 973569) is 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CSc1ccc(Cl)c(C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SLAPDBVKBCTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-7-6-18-12(14-7)15-11(16)9-5-8(17-2)3-4-10(9)13/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 298.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 973569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).