N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine

C14H18N4S — CID 131889047

IUPACN-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(Nc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C14H18N4S/c1-2-18-9-8-12(10-18)15-14-17-16-13(19-14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,17)
InChIKeyUNJNBHBKAVQXCY-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.71
Rot. Bonds4

About N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine

N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 131889047) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID131889047
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(Nc2nnc(-c3ccccc3)s2)C1
InChIInChI=1S/C14H18N4S/c1-2-18-9-8-12(10-18)15-14-17-16-13(19-14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,17)
InChIKeyUNJNBHBKAVQXCY-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrrolidin-3-yl)-5-phenyl-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-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine (CID 131889047) is N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine is CCN1CCC(Nc2nnc(-c3ccccc3)s2)C1.
What is the InChIKey of N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UNJNBHBKAVQXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-18-9-8-12(10-18)15-14-17-16-13(19-14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine?
N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-3-yl)-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131889047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).