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

C17H15N7OS — CID 71802158

IUPAC2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H15N7OS/c25-16(15-11-20-24(22-15)14-5-2-1-3-6-14)18-9-7-13-12-26-17(21-13)23-10-4-8-19-23/h1-6,8,10-12H,7,9H2,(H,18,25)
InChIKeyLIWBOGYLGCHNBG-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.88
Rot. Bonds6

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

2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide (PubChem CID 71802158) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
PubChem CID71802158
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H15N7OS/c25-16(15-11-20-24(22-15)14-5-2-1-3-6-14)18-9-7-13-12-26-17(21-13)23-10-4-8-19-23/h1-6,8,10-12H,7,9H2,(H,18,25)
InChIKeyLIWBOGYLGCHNBG-UHFFFAOYSA-N
XLogP1.88
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide (CID 71802158) is 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide is O=C(NCCc1csc(-n2cccn2)n1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
The InChIKey is LIWBOGYLGCHNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c25-16(15-11-20-24(22-15)14-5-2-1-3-6-14)18-9-7-13-12-26-17(21-13)23-10-4-8-19-23/h1-6,8,10-12H,7,9H2,(H,18,25).
What are the key properties of 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide?
2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 71802158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).