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

C7H10N2OS — CID 22436439

IUPAC1-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nccs2)C1
InChIInChI=1S/C7H10N2OS/c10-6-1-3-9(5-6)7-8-2-4-11-7/h2,4,6,10H,1,3,5H2
InChIKeyFGDKZPWIKHNPNN-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.71
Rot. Bonds1

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

1-(1,3-thiazol-2-yl)pyrrolidin-3-ol (PubChem CID 22436439) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrrolidin-3-ol
PubChem CID22436439
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nccs2)C1
InChIInChI=1S/C7H10N2OS/c10-6-1-3-9(5-6)7-8-2-4-11-7/h2,4,6,10H,1,3,5H2
InChIKeyFGDKZPWIKHNPNN-UHFFFAOYSA-N
XLogP0.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol (CID 22436439) is 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol is OC1CCN(c2nccs2)C1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is FGDKZPWIKHNPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-6-1-3-9(5-6)7-8-2-4-11-7/h2,4,6,10H,1,3,5H2.
What are the key properties of 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
1-(1,3-thiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 170.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 22436439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).