N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

C24H28N6O2S — CID 59332171

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)c1csc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C24H28N6O2S/c31-18-8-11-28(12-9-18)21-6-2-1-5-19(21)26-23(32)20-17-33-24(27-20)30-15-13-29(14-16-30)22-7-3-4-10-25-22/h1-7,10,17-18,31H,8-9,11-16H2,(H,26,32)
InChIKeyBUDICJGMIIMVHM-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59332171) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID59332171
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCC(O)CC1)c1csc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C24H28N6O2S/c31-18-8-11-28(12-9-18)21-6-2-1-5-19(21)26-23(32)20-17-33-24(27-20)30-15-13-29(14-16-30)22-7-3-4-10-25-22/h1-7,10,17-18,31H,8-9,11-16H2,(H,26,32)
InChIKeyBUDICJGMIIMVHM-UHFFFAOYSA-N
XLogP3.08
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-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

Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332457
N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117085603
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110932033
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
2-(cyclohexylmethylamino)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 143665693
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 71053466
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
N-(pyridin-3-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117080115
N-[2-[4-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 67271184
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332404
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 151283957
N'-(pyridine-2-carbonyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3858168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (CID 59332171) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCC(O)CC1)c1csc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BUDICJGMIIMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c31-18-8-11-28(12-9-18)21-6-2-1-5-19(21)26-23(32)20-17-33-24(27-20)30-15-13-29(14-16-30)22-7-3-4-10-25-22/h1-7,10,17-18,31H,8-9,11-16H2,(H,26,32).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).