pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol

C8H12N2OS — CID 59298228

IUPACpyrrolidin-3-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)C1CCNC1
InChIInChI=1S/C8H12N2OS/c11-7(6-1-2-9-5-6)8-10-3-4-12-8/h3-4,6-7,9,11H,1-2,5H2
InChIKeySGAJPLCSCANLDN-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.79
Rot. Bonds2

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

pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol (PubChem CID 59298228) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Namepyrrolidin-3-yl(1,3-thiazol-2-yl)methanol
PubChem CID59298228
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Namepyrrolidin-3-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)C1CCNC1
InChIInChI=1S/C8H12N2OS/c11-7(6-1-2-9-5-6)8-10-3-4-12-8/h3-4,6-7,9,11H,1-2,5H2
InChIKeySGAJPLCSCANLDN-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol?
The IUPAC name of pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol (CID 59298228) is pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol?
The canonical SMILES for pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol is OC(c1nccs1)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol?
The InChIKey is SGAJPLCSCANLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-7(6-1-2-9-5-6)8-10-3-4-12-8/h3-4,6-7,9,11H,1-2,5H2.
What are the key properties of pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol?
pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol has a molecular weight of 184.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 59298228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).