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

C11H19N3OS — CID 65274883

IUPAC[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)c1nsc(N2CCCC2CO)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-5-8(14)7-15/h8,15H,4-7H2,1-3H3
InChIKeyPHZVAOMPOTXMSB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.80
Rot. Bonds2

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

[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol (PubChem CID 65274883) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
PubChem CID65274883
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)c1nsc(N2CCCC2CO)n1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-5-8(14)7-15/h8,15H,4-7H2,1-3H3
InChIKeyPHZVAOMPOTXMSB-UHFFFAOYSA-N
XLogP1.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.80
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-2-yl]methanol?
The IUPAC name of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol (CID 65274883) is [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol is CC(C)(C)c1nsc(N2CCCC2CO)n1.
What is the InChIKey of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol?
The InChIKey is PHZVAOMPOTXMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)9-12-10(16-13-9)14-6-4-5-8(14)7-15/h8,15H,4-7H2,1-3H3.
What are the key properties of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol?
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.80, 2 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-2-yl]methanol is sourced from PubChem (CID 65274883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).