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

C11H9ClN2OS — CID 899301

IUPAC3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKeyMXGUAAMFCPDOEZ-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.36
Rot. Bonds2

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

3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 899301) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID899301
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKeyMXGUAAMFCPDOEZ-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 899301) is 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MXGUAAMFCPDOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 252.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 899301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).