4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide

C24H20N2O2S — CID 1207301

IUPAC4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C24H20N2O2S/c1-16-8-10-17(11-9-16)21-22(18-6-4-3-5-7-18)29-24(25-21)26-23(27)19-12-14-20(28-2)15-13-19/h3-15H,1-2H3,(H,25,26,27)
InChIKeyAMPKZHYISGNRMU-UHFFFAOYSA-N
MW400.50 g/mol
LogP6.05
Rot. Bonds5

About 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide

4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 1207301) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID1207301
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C24H20N2O2S/c1-16-8-10-17(11-9-16)21-22(18-6-4-3-5-7-18)29-24(25-21)26-23(27)19-12-14-20(28-2)15-13-19/h3-15H,1-2H3,(H,25,26,27)
InChIKeyAMPKZHYISGNRMU-UHFFFAOYSA-N
XLogP6.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 2279983
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
CID 126202408
4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210782
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 999954
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide (CID 1207301) is 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is AMPKZHYISGNRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-16-8-10-17(11-9-16)21-22(18-6-4-3-5-7-18)29-24(25-21)26-23(27)19-12-14-20(28-2)15-13-19/h3-15H,1-2H3,(H,25,26,27).
What are the key properties of 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1207301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).