N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide

C17H19N5O2S — CID 53158464

IUPACN-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC1)c1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C17H19N5O2S/c23-15(19-12-4-5-12)16-20-13(11-25-16)17(24)22-9-7-21(8-10-22)14-3-1-2-6-18-14/h1-3,6,11-12H,4-5,7-10H2,(H,19,23)
InChIKeyOSOXBILYNSEKJD-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.39
Rot. Bonds4

About N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide

N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide (PubChem CID 53158464) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
PubChem CID53158464
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC1)c1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C17H19N5O2S/c23-15(19-12-4-5-12)16-20-13(11-25-16)17(24)22-9-7-21(8-10-22)14-3-1-2-6-18-14/h1-3,6,11-12H,4-5,7-10H2,(H,19,23)
InChIKeyOSOXBILYNSEKJD-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-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

N-cyclopropyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109093874
N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 53158433
[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3814800
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
N'-(pyridine-2-carbonyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3858168
3-phenyl-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one
CID 3825039
[2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53125120
N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 83407453
2-chloro-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038331
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide (CID 53158464) is N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide is O=C(NC1CC1)c1nc(C(=O)N2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The InChIKey is OSOXBILYNSEKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-15(19-12-4-5-12)16-20-13(11-25-16)17(24)22-9-7-21(8-10-22)14-3-1-2-6-18-14/h1-3,6,11-12H,4-5,7-10H2,(H,19,23).
What are the key properties of N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide?
N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53158464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).