N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

C11H19N4S2+ — CID 9378347

IUPACN-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC1CC[NH+](CCSc2nnc(NC3CC3)s2)C1
InChIInChI=1S/C11H18N4S2/c1-2-6-15(5-1)7-8-16-11-14-13-10(17-11)12-9-3-4-9/h9H,1-8H2,(H,12,13)/p+1
InChIKeyKXWCJJVFVXOLNX-UHFFFAOYSA-O
MW271.43 g/mol
LogP0.88
Rot. Bonds6

About N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 9378347) has the molecular formula C11H19N4S2+ and a molecular weight of 271.43 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID9378347
Molecular FormulaC11H19N4S2+
Molecular Weight271.43 g/mol
Exact Mass271.10
IUPAC NameN-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESC1CC[NH+](CCSc2nnc(NC3CC3)s2)C1
InChIInChI=1S/C11H18N4S2/c1-2-6-15(5-1)7-8-16-11-14-13-10(17-11)12-9-3-4-9/h9H,1-8H2,(H,12,13)/p+1
InChIKeyKXWCJJVFVXOLNX-UHFFFAOYSA-O
XLogP0.88
TPSA42.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine 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 N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 9378347) is N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is C1CC[NH+](CCSc2nnc(NC3CC3)s2)C1.
What is the InChIKey of N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KXWCJJVFVXOLNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N4S2/c1-2-6-15(5-1)7-8-16-11-14-13-10(17-11)12-9-3-4-9/h9H,1-8H2,(H,12,13)/p+1.
What are the key properties of N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9378347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).