(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone

C16H19N3OS — CID 125006896

IUPAC(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)n1
InChIInChI=1S/C16H19N3OS/c1-12-4-2-6-14(18-12)16(20)19-8-3-5-13(11-19)10-15-17-7-9-21-15/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyUJNJTDSXRCBEJW-ZDUSSCGKSA-N
MW301.42 g/mol
LogP2.94
Rot. Bonds3

About (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone

(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125006896) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID125006896
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)n1
InChIInChI=1S/C16H19N3OS/c1-12-4-2-6-14(18-12)16(20)19-8-3-5-13(11-19)10-15-17-7-9-21-15/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyUJNJTDSXRCBEJW-ZDUSSCGKSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 118740162
[1-(difluoromethyl)pyrazol-3-yl]-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844761
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010829
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone (CID 125006896) is (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UJNJTDSXRCBEJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-4-2-6-14(18-12)16(20)19-8-3-5-13(11-19)10-15-17-7-9-21-15/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone?
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 301.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125006896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).