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

C8H12N2OS — CID 10352369

IUPAC[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)[C@@H]1CCCN1
InChIInChI=1S/C8H12N2OS/c11-7(6-2-1-3-9-6)8-10-4-5-12-8/h4-7,9,11H,1-3H2/t6-,7?/m0/s1
InChIKeyCBHWEWNDFNASKF-PKPIPKONSA-N
MW184.26 g/mol
LogP0.93
Rot. Bonds2

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

[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol (PubChem CID 10352369) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol
PubChem CID10352369
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)[C@@H]1CCCN1
InChIInChI=1S/C8H12N2OS/c11-7(6-2-1-3-9-6)8-10-4-5-12-8/h4-7,9,11H,1-3H2/t6-,7?/m0/s1
InChIKeyCBHWEWNDFNASKF-PKPIPKONSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol (CID 10352369) is [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol is OC(c1nccs1)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is CBHWEWNDFNASKF-PKPIPKONSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-7(6-2-1-3-9-6)8-10-4-5-12-8/h4-7,9,11H,1-3H2/t6-,7?/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-yl)methanol?
[(2S)-pyrrolidin-2-yl]-(1,3-thiazol-2-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]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 10352369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).