1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone

C10H14N2OS — CID 71187972

IUPAC1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc([C@H]2CCCNC2)n1
InChIInChI=1S/C10H14N2OS/c1-7(13)9-6-14-10(12-9)8-3-2-4-11-5-8/h6,8,11H,2-5H2,1H3/t8-/m0/s1
InChIKeyDPSFJKWUXCRQPP-QMMMGPOBSA-N
MW210.30 g/mol
LogP1.81
Rot. Bonds2

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

1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone (PubChem CID 71187972) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone
PubChem CID71187972
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc([C@H]2CCCNC2)n1
InChIInChI=1S/C10H14N2OS/c1-7(13)9-6-14-10(12-9)8-3-2-4-11-5-8/h6,8,11H,2-5H2,1H3/t8-/m0/s1
InChIKeyDPSFJKWUXCRQPP-QMMMGPOBSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone (CID 71187972) is 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc([C@H]2CCCNC2)n1.
What is the InChIKey of 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is DPSFJKWUXCRQPP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(13)9-6-14-10(12-9)8-3-2-4-11-5-8/h6,8,11H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 210.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 71187972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).