2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole

C10H15F2N3S2 — CID 126829822

IUPAC2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCC(F)(F)CSc1nnc(N2CCCC2)s1
InChIInChI=1S/C10H15F2N3S2/c1-2-10(11,12)7-16-9-14-13-8(17-9)15-5-3-4-6-15/h2-7H2,1H3
InChIKeyJENLROBCTYAEPI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.28
Rot. Bonds5

About 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole

2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 126829822) has the molecular formula C10H15F2N3S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID126829822
Molecular FormulaC10H15F2N3S2
Molecular Weight279.38 g/mol
Exact Mass279.07
IUPAC Name2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCC(F)(F)CSc1nnc(N2CCCC2)s1
InChIInChI=1S/C10H15F2N3S2/c1-2-10(11,12)7-16-9-14-13-8(17-9)15-5-3-4-6-15/h2-7H2,1H3
InChIKeyJENLROBCTYAEPI-UHFFFAOYSA-N
XLogP3.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 126829822) is 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole is CCC(F)(F)CSc1nnc(N2CCCC2)s1.
What is the InChIKey of 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is JENLROBCTYAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S2/c1-2-10(11,12)7-16-9-14-13-8(17-9)15-5-3-4-6-15/h2-7H2,1H3.
What are the key properties of 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 279.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorobutylsulfanyl)-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 126829822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).