2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide

C16H14N4OS — CID 150957227

IUPAC2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H14N4OS/c21-15(19-9-5-12-3-7-17-8-4-12)14-11-22-16(20-14)13-2-1-6-18-10-13/h1-4,6-8,10-11H,5,9H2,(H,19,21)
InChIKeyLLIIOULHISROIF-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.57
Rot. Bonds5

About 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide

2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 150957227) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID150957227
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H14N4OS/c21-15(19-9-5-12-3-7-17-8-4-12)14-11-22-16(20-14)13-2-1-6-18-10-13/h1-4,6-8,10-11H,5,9H2,(H,19,21)
InChIKeyLLIIOULHISROIF-UHFFFAOYSA-N
XLogP2.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide (CID 150957227) is 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCc1ccncc1)c1csc(-c2cccnc2)n1.
What is the InChIKey of 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LLIIOULHISROIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(19-9-5-12-3-7-17-8-4-12)14-11-22-16(20-14)13-2-1-6-18-10-13/h1-4,6-8,10-11H,5,9H2,(H,19,21).
What are the key properties of 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide?
2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 150957227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).