1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one

C15H24N2O2S2 — CID 142437299

IUPAC1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one
SMILESCCSc1nc(CCC(=O)N2CC[C@H](O)C[C@@H]2CC)cs1
InChIInChI=1S/C15H24N2O2S2/c1-3-12-9-13(18)7-8-17(12)14(19)6-5-11-10-21-15(16-11)20-4-2/h10,12-13,18H,3-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyDIPKKEMNTRLBNW-STQMWFEESA-N
MW328.50 g/mol
LogP2.95
Rot. Bonds6

About 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one

1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 142437299) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID142437299
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one
SMILESCCSc1nc(CCC(=O)N2CC[C@H](O)C[C@@H]2CC)cs1
InChIInChI=1S/C15H24N2O2S2/c1-3-12-9-13(18)7-8-17(12)14(19)6-5-11-10-21-15(16-11)20-4-2/h10,12-13,18H,3-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyDIPKKEMNTRLBNW-STQMWFEESA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 71931491
(3-Endo)-8-{[2-(ethylthio)-1,3-thiazol-4-yl]acetyl}-8-azabicyclo[3.2.1]octan-3-ol
CID 50954281
1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
CID 142437303
1-[(2S,4S,6R)-2-ethyl-4-hydroxy-6-methylpiperidin-1-yl]-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)ethanone
CID 142437313
1-(4-Hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 43391842
1-(4-Hydroxypiperidin-1-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-one
CID 43418543
2-[2-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 45395111
2-[2-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 45395266
1-[4-(2-Hydroxypropyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53617882
1-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 63762899
1-(4-Ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 71931485
1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 95342297

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one (CID 142437299) is 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one is CCSc1nc(CCC(=O)N2CC[C@H](O)C[C@@H]2CC)cs1.
What is the InChIKey of 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is DIPKKEMNTRLBNW-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-12-9-13(18)7-8-17(12)14(19)6-5-11-10-21-15(16-11)20-4-2/h10,12-13,18H,3-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one?
1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 328.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-ethyl-4-hydroxypiperidin-1-yl]-3-(2-ethylsulfanyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 142437299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).