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

C17H19ClN2OS — CID 164640060

IUPAC1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)s2)C1
InChIInChI=1S/C17H19ClN2OS/c1-12(21)20-8-4-6-14(11-20)17-19-10-15(22-17)9-13-5-2-3-7-16(13)18/h2-3,5,7,10,14H,4,6,8-9,11H2,1H3/t14-/m0/s1
InChIKeyOGRPZKRFTCYWNW-AWEZNQCLSA-N
MW334.87 g/mol
LogP4.11
Rot. Bonds3

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

1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 164640060) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID164640060
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)s2)C1
InChIInChI=1S/C17H19ClN2OS/c1-12(21)20-8-4-6-14(11-20)17-19-10-15(22-17)9-13-5-2-3-7-16(13)18/h2-3,5,7,10,14H,4,6,8-9,11H2,1H3/t14-/m0/s1
InChIKeyOGRPZKRFTCYWNW-AWEZNQCLSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 164640060) is 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)s2)C1.
What is the InChIKey of 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is OGRPZKRFTCYWNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-12(21)20-8-4-6-14(11-20)17-19-10-15(22-17)9-13-5-2-3-7-16(13)18/h2-3,5,7,10,14H,4,6,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 334.87 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 164640060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).