2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

C10H17N3S — CID 71850468

IUPAC2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(N2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-10(2,3)8-11-12-9(14-8)13-6-4-5-7-13/h4-7H2,1-3H3
InChIKeyKFSDHKMBRMESBQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds1

About 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 71850468) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID71850468
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(N2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-10(2,3)8-11-12-9(14-8)13-6-4-5-7-13/h4-7H2,1-3H3
InChIKeyKFSDHKMBRMESBQ-UHFFFAOYSA-N
XLogP2.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 71850468) is 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is CC(C)(C)c1nnc(N2CCCC2)s1.
What is the InChIKey of 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is KFSDHKMBRMESBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)8-11-12-9(14-8)13-6-4-5-7-13/h4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 211.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 71850468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).