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

C11H9ClN2OS — CID 2083068

IUPAC4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N/C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2OS/c1-14-6-7-16-11(14)13-10(15)8-2-4-9(12)5-3-8/h2-7H,1H3/b13-11+
InChIKeyCSEUTQNKXLGGLY-ACCUITESSA-N
MW252.73 g/mol
LogP2.48
Rot. Bonds1

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

4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 2083068) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID2083068
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N/C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2OS/c1-14-6-7-16-11(14)13-10(15)8-2-4-9(12)5-3-8/h2-7H,1H3/b13-11+
InChIKeyCSEUTQNKXLGGLY-ACCUITESSA-N
XLogP2.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 2083068) is 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1ccs/c1=N/C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is CSEUTQNKXLGGLY-ACCUITESSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-14-6-7-16-11(14)13-10(15)8-2-4-9(12)5-3-8/h2-7H,1H3/b13-11+.
What are the key properties of 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 252.73 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 2083068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).