1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

C9H13N3OS — CID 65275173

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H13N3OS/c13-7-3-4-12(5-7)9-10-8(11-14-9)6-1-2-6/h6-7,13H,1-5H2
InChIKeyRTIHGIUUGINIAZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.99
Rot. Bonds2

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 65275173) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID65275173
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H13N3OS/c13-7-3-4-12(5-7)9-10-8(11-14-9)6-1-2-6/h6-7,13H,1-5H2
InChIKeyRTIHGIUUGINIAZ-UHFFFAOYSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 65275173) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is OC1CCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is RTIHGIUUGINIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-7-3-4-12(5-7)9-10-8(11-14-9)6-1-2-6/h6-7,13H,1-5H2.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 211.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 65275173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).