4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide

C17H13ClN2O2S — CID 87217566

IUPAC4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCONC(=O)c1nc(-c2ccccc2Cl)c(-c2ccccc2)s1
InChIInChI=1S/C17H13ClN2O2S/c1-22-20-16(21)17-19-14(12-9-5-6-10-13(12)18)15(23-17)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21)
InChIKeyFHJORXYWGZEYQM-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.42
Rot. Bonds4

About 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide

4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 87217566) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide
PubChem CID87217566
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide
SMILESCONC(=O)c1nc(-c2ccccc2Cl)c(-c2ccccc2)s1
InChIInChI=1S/C17H13ClN2O2S/c1-22-20-16(21)17-19-14(12-9-5-6-10-13(12)18)15(23-17)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21)
InChIKeyFHJORXYWGZEYQM-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide (CID 87217566) is 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide is CONC(=O)c1nc(-c2ccccc2Cl)c(-c2ccccc2)s1.
What is the InChIKey of 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is FHJORXYWGZEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-20-16(21)17-19-14(12-9-5-6-10-13(12)18)15(23-17)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21).
What are the key properties of 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide?
4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-methoxy-5-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 87217566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).