1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C18H23N3OS — CID 95767945

IUPAC1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCCc1csc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n1
InChIInChI=1S/C18H23N3OS/c1-2-16-13-23-18(20-16)15-4-3-11-21(12-15)17(22)6-5-14-7-9-19-10-8-14/h7-10,13,15H,2-6,11-12H2,1H3/t15-/m0/s1
InChIKeyWHWWBWHVQICFOV-HNNXBMFYSA-N
MW329.47 g/mol
LogP3.44
Rot. Bonds5

About 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 95767945) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID95767945
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCCc1csc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n1
InChIInChI=1S/C18H23N3OS/c1-2-16-13-23-18(20-16)15-4-3-11-21(12-15)17(22)6-5-14-7-9-19-10-8-14/h7-10,13,15H,2-6,11-12H2,1H3/t15-/m0/s1
InChIKeyWHWWBWHVQICFOV-HNNXBMFYSA-N
XLogP3.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one with MolForge

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Related Compounds

4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86946861
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
CID 159572048
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873612

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 95767945) is 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is CCc1csc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n1.
What is the InChIKey of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is WHWWBWHVQICFOV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-16-13-23-18(20-16)15-4-3-11-21(12-15)17(22)6-5-14-7-9-19-10-8-14/h7-10,13,15H,2-6,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 329.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 95767945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).