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

C10H17N3OS — CID 65275115

IUPAC1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCC(C)(C)c1nsc(N2CCC(O)C2)n1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)8-11-9(15-12-8)13-5-4-7(14)6-13/h7,14H,4-6H2,1-3H3
InChIKeyUBIUYWINOGYDGF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.41
Rot. Bonds1

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

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 65275115) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID65275115
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCC(C)(C)c1nsc(N2CCC(O)C2)n1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)8-11-9(15-12-8)13-5-4-7(14)6-13/h7,14H,4-6H2,1-3H3
InChIKeyUBIUYWINOGYDGF-UHFFFAOYSA-N
XLogP1.41
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 65275115) is 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is CC(C)(C)c1nsc(N2CCC(O)C2)n1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is UBIUYWINOGYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,3)8-11-9(15-12-8)13-5-4-7(14)6-13/h7,14H,4-6H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 227.33 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 65275115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).