2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide

C24H17N5OS — CID 122286360

IUPAC2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C24H17N5OS/c30-23(21-15-25-29(28-21)20-9-5-2-6-10-20)26-19-13-11-17(12-14-19)22-16-31-24(27-22)18-7-3-1-4-8-18/h1-16H,(H,26,30)
InChIKeyUIFSXDOHDFFAFI-UHFFFAOYSA-N
MW423.50 g/mol
LogP5.31
Rot. Bonds5

About 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide

2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide (PubChem CID 122286360) has the molecular formula C24H17N5OS and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide
PubChem CID122286360
Molecular FormulaC24H17N5OS
Molecular Weight423.50 g/mol
Exact Mass423.12
IUPAC Name2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C24H17N5OS/c30-23(21-15-25-29(28-21)20-9-5-2-6-10-20)26-19-13-11-17(12-14-19)22-16-31-24(27-22)18-7-3-1-4-8-18/h1-16H,(H,26,30)
InChIKeyUIFSXDOHDFFAFI-UHFFFAOYSA-N
XLogP5.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
CID 122285607
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 122286371
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 90602681

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide (CID 122286360) is 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide is O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide?
The InChIKey is UIFSXDOHDFFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5OS/c30-23(21-15-25-29(28-21)20-9-5-2-6-10-20)26-19-13-11-17(12-14-19)22-16-31-24(27-22)18-7-3-1-4-8-18/h1-16H,(H,26,30).
What are the key properties of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide?
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 122286360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).