N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H13ClN2OS — CID 47005218

IUPACN-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN2OS/c1-8-12(18-9(2)16-8)13(17)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyQSGDBTMRCFQXPG-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.34
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47005218) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID47005218
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN2OS/c1-8-12(18-9(2)16-8)13(17)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyQSGDBTMRCFQXPG-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 47005218) is N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccccc2Cl)s1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QSGDBTMRCFQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8-12(18-9(2)16-8)13(17)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47005218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).