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

C25H26N6OS — CID 69168055

IUPAC1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccccc2)nn1)N(Cc1csc(N2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C25H26N6OS/c32-24(23-18-30(28-27-23)16-20-10-4-1-5-11-20)31(22-12-6-2-7-13-22)17-21-19-33-25(26-21)29-14-8-3-9-15-29/h1-2,4-7,10-13,18-19H,3,8-9,14-17H2
InChIKeySDNHZYDZPZOOSU-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.62
Rot. Bonds7

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

1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 69168055) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID69168055
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC Name1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccccc2)nn1)N(Cc1csc(N2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C25H26N6OS/c32-24(23-18-30(28-27-23)16-20-10-4-1-5-11-20)31(22-12-6-2-7-13-22)17-21-19-33-25(26-21)29-14-8-3-9-15-29/h1-2,4-7,10-13,18-19H,3,8-9,14-17H2
InChIKeySDNHZYDZPZOOSU-UHFFFAOYSA-N
XLogP4.62
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide (CID 69168055) is 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is O=C(c1cn(Cc2ccccc2)nn1)N(Cc1csc(N2CCCCC2)n1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is SDNHZYDZPZOOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS/c32-24(23-18-30(28-27-23)16-20-10-4-1-5-11-20)31(22-12-6-2-7-13-22)17-21-19-33-25(26-21)29-14-8-3-9-15-29/h1-2,4-7,10-13,18-19H,3,8-9,14-17H2.
What are the key properties of 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide?
1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-phenyl-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 69168055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).