2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol

C12H19ClN2OS — CID 125424127

IUPAC2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol
SMILESC[C@H]1CCCN(Cc2ncc(Cl)s2)[C@@H]1CCO
InChIInChI=1S/C12H19ClN2OS/c1-9-3-2-5-15(10(9)4-6-16)8-12-14-7-11(13)17-12/h7,9-10,16H,2-6,8H2,1H3/t9-,10+/m0/s1
InChIKeyQWYFLNCPSJZVJL-VHSXEESVSA-N
MW274.82 g/mol
LogP2.78
Rot. Bonds4

About 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol

2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol (PubChem CID 125424127) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol
PubChem CID125424127
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol
SMILESC[C@H]1CCCN(Cc2ncc(Cl)s2)[C@@H]1CCO
InChIInChI=1S/C12H19ClN2OS/c1-9-3-2-5-15(10(9)4-6-16)8-12-14-7-11(13)17-12/h7,9-10,16H,2-6,8H2,1H3/t9-,10+/m0/s1
InChIKeyQWYFLNCPSJZVJL-VHSXEESVSA-N
XLogP2.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol (CID 125424127) is 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol is C[C@H]1CCCN(Cc2ncc(Cl)s2)[C@@H]1CCO.
What is the InChIKey of 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol?
The InChIKey is QWYFLNCPSJZVJL-VHSXEESVSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-9-3-2-5-15(10(9)4-6-16)8-12-14-7-11(13)17-12/h7,9-10,16H,2-6,8H2,1H3/t9-,10+/m0/s1.
What are the key properties of 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol?
2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol has a molecular weight of 274.82 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol is sourced from PubChem (CID 125424127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).