1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol

C9H14N2OS — CID 164653636

IUPAC1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol
SMILESOC(Cc1ccns1)[C@H]1CCNC1
InChIInChI=1S/C9H14N2OS/c12-9(7-1-3-10-6-7)5-8-2-4-11-13-8/h2,4,7,9-10,12H,1,3,5-6H2/t7-,9?/m0/s1
InChIKeyHWEHMWWVXSMCOW-JAVCKPHESA-N
MW198.29 g/mol
LogP0.66
Rot. Bonds3

About 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol

1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol (PubChem CID 164653636) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol
PubChem CID164653636
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol
SMILESOC(Cc1ccns1)[C@H]1CCNC1
InChIInChI=1S/C9H14N2OS/c12-9(7-1-3-10-6-7)5-8-2-4-11-13-8/h2,4,7,9-10,12H,1,3,5-6H2/t7-,9?/m0/s1
InChIKeyHWEHMWWVXSMCOW-JAVCKPHESA-N
XLogP0.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol (CID 164653636) is 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol is OC(Cc1ccns1)[C@H]1CCNC1.
What is the InChIKey of 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol?
The InChIKey is HWEHMWWVXSMCOW-JAVCKPHESA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9(7-1-3-10-6-7)5-8-2-4-11-13-8/h2,4,7,9-10,12H,1,3,5-6H2/t7-,9?/m0/s1.
What are the key properties of 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol?
1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-pyrrolidin-3-yl]-2-(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 164653636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).