(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone

C18H23N3OS — CID 110389338

IUPAC(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CCc2ccccn2)sc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C18H23N3OS/c1-13-6-5-11-21(12-13)18(22)17-14(2)20-16(23-17)9-8-15-7-3-4-10-19-15/h3-4,7,10,13H,5-6,8-9,11-12H2,1-2H3
InChIKeyLSBIPGVQBPSFNO-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.50
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone

(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 110389338) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
PubChem CID110389338
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CCc2ccccn2)sc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C18H23N3OS/c1-13-6-5-11-21(12-13)18(22)17-14(2)20-16(23-17)9-8-15-7-3-4-10-19-15/h3-4,7,10,13H,5-6,8-9,11-12H2,1-2H3
InChIKeyLSBIPGVQBPSFNO-UHFFFAOYSA-N
XLogP3.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 110389286
[4-methyl-2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 110341792
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97155827
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389335
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446
4-methyl-2-[[(3-methylpiperidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630024
N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97282681
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 82035056
4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389297

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone (CID 110389338) is (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone is Cc1nc(CCc2ccccn2)sc1C(=O)N1CCCC(C)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is LSBIPGVQBPSFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-6-5-11-21(12-13)18(22)17-14(2)20-16(23-17)9-8-15-7-3-4-10-19-15/h3-4,7,10,13H,5-6,8-9,11-12H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone?
(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 110389338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).