N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

C25H22N6O2S2 — CID 87111091

IUPACN-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1)c1cscn1
InChIInChI=1S/C25H22N6O2S2/c32-23(21-15-34-16-28-21)29-19-6-4-18(5-7-19)22-14-27-24(35-22)30-25(33)31-11-8-17(9-12-31)13-20-3-1-2-10-26-20/h1-7,10,13-16H,8-9,11-12H2,(H,29,32)(H,27,30,33)
InChIKeyULZCYGLRPNGYSN-UHFFFAOYSA-N
MW502.63 g/mol
LogP5.63
Rot. Bonds5

About N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 87111091) has the molecular formula C25H22N6O2S2 and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID87111091
Molecular FormulaC25H22N6O2S2
Molecular Weight502.63 g/mol
Exact Mass502.12
IUPAC NameN-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1)c1cscn1
InChIInChI=1S/C25H22N6O2S2/c32-23(21-15-34-16-28-21)29-19-6-4-18(5-7-19)22-14-27-24(35-22)30-25(33)31-11-8-17(9-12-31)13-20-3-1-2-10-26-20/h1-7,10,13-16H,8-9,11-12H2,(H,29,32)(H,27,30,33)
InChIKeyULZCYGLRPNGYSN-UHFFFAOYSA-N
XLogP5.63
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-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-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 87111091) is N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1)c1cscn1.
What is the InChIKey of N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ULZCYGLRPNGYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S2/c32-23(21-15-34-16-28-21)29-19-6-4-18(5-7-19)22-14-27-24(35-22)30-25(33)31-11-8-17(9-12-31)13-20-3-1-2-10-26-20/h1-7,10,13-16H,8-9,11-12H2,(H,29,32)(H,27,30,33).
What are the key properties of N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 502.63 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-(pyridin-2-ylmethylidene)piperidine-1-carbonyl]amino]-1,3-thiazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87111091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).