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

C19H19N5OS — CID 70681811

IUPACN-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C19H19N5OS/c25-18(16-13-26-19(23-16)14-4-3-7-21-12-14)22-15-5-1-2-6-17(15)24-10-8-20-9-11-24/h1-7,12-13,20H,8-11H2,(H,22,25)
InChIKeyHOLCALZMYQNWHU-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.87
Rot. Bonds4

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

N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 70681811) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID70681811
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C19H19N5OS/c25-18(16-13-26-19(23-16)14-4-3-7-21-12-14)22-15-5-1-2-6-17(15)24-10-8-20-9-11-24/h1-7,12-13,20H,8-11H2,(H,22,25)
InChIKeyHOLCALZMYQNWHU-UHFFFAOYSA-N
XLogP2.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-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 N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 70681811) is N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HOLCALZMYQNWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-18(16-13-26-19(23-16)14-4-3-7-21-12-14)22-15-5-1-2-6-17(15)24-10-8-20-9-11-24/h1-7,12-13,20H,8-11H2,(H,22,25).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70681811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).