N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C17H22N4OS — CID 110100885

IUPACN-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(C2(C)CCN(Cc3ccccn3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-17(16-20-11-14(23-16)15(22)18-2)6-9-21(10-7-17)12-13-5-3-4-8-19-13/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H,18,22)
InChIKeyNPMJQQGKSDADOW-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 110100885) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID110100885
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(C2(C)CCN(Cc3ccccn3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-17(16-20-11-14(23-16)15(22)18-2)6-9-21(10-7-17)12-13-5-3-4-8-19-13/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H,18,22)
InChIKeyNPMJQQGKSDADOW-UHFFFAOYSA-N
XLogP2.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-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-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131652450
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide
CID 102416597
N-[(3R)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 97374758
1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374960
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 110100885) is N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(C2(C)CCN(Cc3ccccn3)CC2)s1.
What is the InChIKey of N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NPMJQQGKSDADOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-17(16-20-11-14(23-16)15(22)18-2)6-9-21(10-7-17)12-13-5-3-4-8-19-13/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110100885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).