2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C11H9ClN2OS — CID 850243

IUPAC2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H9ClN2OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
InChIKeyHOBZBRNSRNXJRK-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.36
Rot. Bonds2

About 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 850243) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID850243
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H9ClN2OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
InChIKeyHOBZBRNSRNXJRK-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 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 850243) is 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is HOBZBRNSRNXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15).
What are the key properties of 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide 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 2-chloro-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).