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

C24H17N3OS — CID 108747975

IUPAC3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C24H17N3OS/c1-16-22(27-24(29-16)19-7-3-2-4-8-19)18-10-12-21(13-11-18)26-23(28)20-9-5-6-17(14-20)15-25/h2-14H,1H3,(H,26,28)
InChIKeyFRBCUAZBFJYGPY-UHFFFAOYSA-N
MW395.49 g/mol
LogP5.91
Rot. Bonds4

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

3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108747975) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108747975
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C24H17N3OS/c1-16-22(27-24(29-16)19-7-3-2-4-8-19)18-10-12-21(13-11-18)26-23(28)20-9-5-6-17(14-20)15-25/h2-14H,1H3,(H,26,28)
InChIKeyFRBCUAZBFJYGPY-UHFFFAOYSA-N
XLogP5.91
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9094383
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795282
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 108747866
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108747975) is 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is FRBCUAZBFJYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c1-16-22(27-24(29-16)19-7-3-2-4-8-19)18-10-12-21(13-11-18)26-23(28)20-9-5-6-17(14-20)15-25/h2-14H,1H3,(H,26,28).
What are the key properties of 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 395.49 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108747975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).