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

C13H23N3OS — CID 65275001

IUPAC3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)c1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-4-6-10(16)7-5-9-17/h10,17H,4-9H2,1-3H3
InChIKeyVQELYNDPALJLSY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.58
Rot. Bonds4

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

3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 65275001) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID65275001
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)c1nsc(N2CCCC2CCCO)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-4-6-10(16)7-5-9-17/h10,17H,4-9H2,1-3H3
InChIKeyVQELYNDPALJLSY-UHFFFAOYSA-N
XLogP2.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 65275001) is 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is CC(C)(C)c1nsc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is VQELYNDPALJLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-4-6-10(16)7-5-9-17/h10,17H,4-9H2,1-3H3.
What are the key properties of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 65275001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).