1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone

C16H19N3OS — CID 124959024

IUPAC1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2ccc(-c3ncc(C)s3)cn2)C1
InChIInChI=1S/C16H19N3OS/c1-11-8-18-16(21-11)13-5-6-15(17-9-13)14-4-3-7-19(10-14)12(2)20/h5-6,8-9,14H,3-4,7,10H2,1-2H3/t14-/m0/s1
InChIKeyGKGQATUQKQGRHC-AWEZNQCLSA-N
MW301.42 g/mol
LogP3.24
Rot. Bonds2

About 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone

1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 124959024) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID124959024
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2ccc(-c3ncc(C)s3)cn2)C1
InChIInChI=1S/C16H19N3OS/c1-11-8-18-16(21-11)13-5-6-15(17-9-13)14-4-3-7-19(10-14)12(2)20/h5-6,8-9,14H,3-4,7,10H2,1-2H3/t14-/m0/s1
InChIKeyGKGQATUQKQGRHC-AWEZNQCLSA-N
XLogP3.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[5-(2-methylphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825074
1-[(3R)-3-[5-(4-chlorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95825184
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
3-[6-(1-acetylpiperidin-3-yl)-3-pyridinyl]benzoic acid
CID 110112133
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110254201
3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110100406
1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95834066
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 124959024) is 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2ccc(-c3ncc(C)s3)cn2)C1.
What is the InChIKey of 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is GKGQATUQKQGRHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-8-18-16(21-11)13-5-6-15(17-9-13)14-4-3-7-19(10-14)12(2)20/h5-6,8-9,14H,3-4,7,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 301.42 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[5-(5-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124959024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).