1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

C16H24N2O3S — CID 95779059

IUPAC1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESCc1csc([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)n1
InChIInChI=1S/C16H24N2O3S/c1-12-11-22-16(17-12)13-4-2-6-18(8-13)15(19)10-20-9-14-5-3-7-21-14/h11,13-14H,2-10H2,1H3/t13-,14+/m0/s1
InChIKeyDCBMPNPYIIINLQ-UONOGXRCSA-N
MW324.45 g/mol
LogP2.35
Rot. Bonds5

About 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (PubChem CID 95779059) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
PubChem CID95779059
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESCc1csc([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)n1
InChIInChI=1S/C16H24N2O3S/c1-12-11-22-16(17-12)13-4-2-6-18(8-13)15(19)10-20-9-14-5-3-7-21-14/h11,13-14H,2-10H2,1H3/t13-,14+/m0/s1
InChIKeyDCBMPNPYIIINLQ-UONOGXRCSA-N
XLogP2.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 95778958
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 95778944
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 138016873
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 95734338
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779103
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (CID 95779059) is 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is Cc1csc([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)n1.
What is the InChIKey of 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The InChIKey is DCBMPNPYIIINLQ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-11-22-16(17-12)13-4-2-6-18(8-13)15(19)10-20-9-14-5-3-7-21-14/h11,13-14H,2-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone has a molecular weight of 324.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is sourced from PubChem (CID 95779059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).