[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol

C8H12N2OS — CID 164662100

IUPAC[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol
SMILESOC(c1cnsc1)[C@@H]1CCCN1
InChIInChI=1S/C8H12N2OS/c11-8(6-4-10-12-5-6)7-2-1-3-9-7/h4-5,7-9,11H,1-3H2/t7-,8?/m0/s1
InChIKeyGDOUXSFQGFHGQY-JAMMHHFISA-N
MW184.26 g/mol
LogP0.93
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol

[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol (PubChem CID 164662100) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol
PubChem CID164662100
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol
SMILESOC(c1cnsc1)[C@@H]1CCCN1
InChIInChI=1S/C8H12N2OS/c11-8(6-4-10-12-5-6)7-2-1-3-9-7/h4-5,7-9,11H,1-3H2/t7-,8?/m0/s1
InChIKeyGDOUXSFQGFHGQY-JAMMHHFISA-N
XLogP0.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl(pyrrolidin-2-yl)methanol
CID 22605701
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 155010567
(2-methoxy-1,3-thiazol-4-yl)-pyrrolidin-2-ylmethanol
CID 126982766

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol (CID 164662100) is [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol is OC(c1cnsc1)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol?
The InChIKey is GDOUXSFQGFHGQY-JAMMHHFISA-N. The full InChI is InChI=1S/C8H12N2OS/c11-8(6-4-10-12-5-6)7-2-1-3-9-7/h4-5,7-9,11H,1-3H2/t7-,8?/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol?
[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol has a molecular weight of 184.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol is sourced from PubChem (CID 164662100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).