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

C20H17N5OS — CID 56909680

IUPACN-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H17N5OS/c1-24(12-16-14-27-19(21-16)15-8-4-2-5-9-15)20(26)18-13-25(23-22-18)17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3
InChIKeyJOUYXIKMTGIXBL-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.66
Rot. Bonds5

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

N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 56909680) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID56909680
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H17N5OS/c1-24(12-16-14-27-19(21-16)15-8-4-2-5-9-15)20(26)18-13-25(23-22-18)17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3
InChIKeyJOUYXIKMTGIXBL-UHFFFAOYSA-N
XLogP3.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (CID 56909680) is N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is JOUYXIKMTGIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-24(12-16-14-27-19(21-16)15-8-4-2-5-9-15)20(26)18-13-25(23-22-18)17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56909680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).