2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C17H13ClN2OS — CID 1472600

IUPAC2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)15-11-22-16(20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)
InChIKeyRJXCWXRVATZHKN-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.64
Rot. Bonds4

About 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 1472600) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID1472600
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)15-11-22-16(20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)
InChIKeyRJXCWXRVATZHKN-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 1472600) is 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RJXCWXRVATZHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)15-11-22-16(20-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21).
What are the key properties of 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).