3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C12H20N4S — CID 65271320

IUPAC3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1nc(C2CC2)ns1
InChIInChI=1S/C12H20N4S/c1-2-16-7-3-4-10(16)8-13-12-14-11(15-17-12)9-5-6-9/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyVYCCKANFBLPKRN-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.31
Rot. Bonds5

About 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271320) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271320
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1nc(C2CC2)ns1
InChIInChI=1S/C12H20N4S/c1-2-16-7-3-4-10(16)8-13-12-14-11(15-17-12)9-5-6-9/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyVYCCKANFBLPKRN-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-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 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271320) is 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is CCN1CCCC1CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is VYCCKANFBLPKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-16-7-3-4-10(16)8-13-12-14-11(15-17-12)9-5-6-9/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).