N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide

C17H22N4OS — CID 119875478

IUPACN-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)C1CCCNC1
InChIInChI=1S/C17H22N4OS/c22-17(14-3-1-7-19-11-14)20-8-2-4-16-21-15(12-23-16)13-5-9-18-10-6-13/h5-6,9-10,12,14,19H,1-4,7-8,11H2,(H,20,22)
InChIKeyWNILANYIFGKTNZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.25
Rot. Bonds6

About N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide

N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide (PubChem CID 119875478) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
PubChem CID119875478
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)C1CCCNC1
InChIInChI=1S/C17H22N4OS/c22-17(14-3-1-7-19-11-14)20-8-2-4-16-21-15(12-23-16)13-5-9-18-10-6-13/h5-6,9-10,12,14,19H,1-4,7-8,11H2,(H,20,22)
InChIKeyWNILANYIFGKTNZ-UHFFFAOYSA-N
XLogP2.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-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-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119875509
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
cis-(1S,3R)-3-(fluoromethyl)-N-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butyl]cyclohexane-1-carboxamide
CID 166292580
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 110471916
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide (CID 119875478) is N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide is O=C(NCCCc1nc(-c2ccncc2)cs1)C1CCCNC1.
What is the InChIKey of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
The InChIKey is WNILANYIFGKTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17(14-3-1-7-19-11-14)20-8-2-4-16-21-15(12-23-16)13-5-9-18-10-6-13/h5-6,9-10,12,14,19H,1-4,7-8,11H2,(H,20,22).
What are the key properties of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide?
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 119875478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).