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

C8H12N2OS — CID 130725448

IUPACpyrrolidin-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CCCN1
InChIInChI=1S/C8H12N2OS/c11-8(6-2-1-4-9-6)7-3-5-12-10-7/h3,5-6,8-9,11H,1-2,4H2
InChIKeyUUJAEJYKZYCKHO-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.93
Rot. Bonds2

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

pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol (PubChem CID 130725448) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Namepyrrolidin-2-yl(1,2-thiazol-3-yl)methanol
PubChem CID130725448
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Namepyrrolidin-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CCCN1
InChIInChI=1S/C8H12N2OS/c11-8(6-2-1-4-9-6)7-3-5-12-10-7/h3,5-6,8-9,11H,1-2,4H2
InChIKeyUUJAEJYKZYCKHO-UHFFFAOYSA-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

(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
Piperidin-4-yl(1,2-thiazol-3-yl)methanol
CID 126985700
(3-Methyl-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130715194
1-Pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol
CID 131003149
2-(Dimethylamino)-1-(1,2-thiazol-3-yl)ethanol
CID 131107615
Piperidin-3-yl(1,2-thiazol-3-yl)methanol
CID 131190544
(4-Methoxypyrrolidin-2-yl)(1,2-thiazol-3-yl)methanol
CID 164650185
(3-Methyl-1,2-thiazol-5-yl)[(2r)-pyrrolidin-2-yl]methanol
CID 164654140
2-Amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 164658481
(2r)-2-Amino-1-(1,2-thiazol-3-yl)butan-1-ol
CID 164661964
(3-Methyl-1,2-thiazol-5-yl)[(2s)-pyrrolidin-2-yl]methanol
CID 164662104
4-(1,2-Thiazol-3-yl)pyrrolidin-3-ol
CID 165598825

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol?
The IUPAC name of pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol (CID 130725448) is pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol?
The canonical SMILES for pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)C1CCCN1.
What is the InChIKey of pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol?
The InChIKey is UUJAEJYKZYCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-8(6-2-1-4-9-6)7-3-5-12-10-7/h3,5-6,8-9,11H,1-2,4H2.
What are the key properties of pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol?
pyrrolidin-2-yl(1,2-thiazol-3-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 pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130725448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).