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

C8H12N2OS — CID 54064354

IUPAC[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nccs1
InChIInChI=1S/C8H12N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h3,5,7,11H,1-2,4,6H2/t7-/m0/s1
InChIKeyMBXGFUHLCSNTHP-ZETCQYMHSA-N
MW184.26 g/mol
LogP1.10
Rot. Bonds2

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

[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 54064354) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
PubChem CID54064354
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nccs1
InChIInChI=1S/C8H12N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h3,5,7,11H,1-2,4,6H2/t7-/m0/s1
InChIKeyMBXGFUHLCSNTHP-ZETCQYMHSA-N
XLogP1.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol (CID 54064354) is [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nccs1.
What is the InChIKey of [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is MBXGFUHLCSNTHP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-6-7-2-1-4-10(7)8-9-3-5-12-8/h3,5,7,11H,1-2,4,6H2/t7-/m0/s1.
What are the key properties of [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 184.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 54064354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).