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

C9H14N2OS — CID 164654104

IUPAC1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)[C@H]1CCCN1
InChIInChI=1S/C9H14N2OS/c12-8(7-2-1-3-10-7)6-9-11-4-5-13-9/h4-5,7-8,10,12H,1-3,6H2/t7-,8?/m1/s1
InChIKeyBCGSXQWNBUFRDU-GVHYBUMESA-N
MW198.29 g/mol
LogP0.80
Rot. Bonds3

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

1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 164654104) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
PubChem CID164654104
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nccs1)[C@H]1CCCN1
InChIInChI=1S/C9H14N2OS/c12-8(7-2-1-3-10-7)6-9-11-4-5-13-9/h4-5,7-8,10,12H,1-3,6H2/t7-,8?/m1/s1
InChIKeyBCGSXQWNBUFRDU-GVHYBUMESA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-(1,3-thiazol-2-yl)ethanol
CID 79824321
1-(6-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822466
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-2-ylethanol
CID 106634659
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
CID 130713187

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol (CID 164654104) is 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol is OC(Cc1nccs1)[C@H]1CCCN1.
What is the InChIKey of 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is BCGSXQWNBUFRDU-GVHYBUMESA-N. The full InChI is InChI=1S/C9H14N2OS/c12-8(7-2-1-3-10-7)6-9-11-4-5-13-9/h4-5,7-8,10,12H,1-3,6H2/t7-,8?/m1/s1.
What are the key properties of 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol?
1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 164654104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).