N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine

C13H15N3S — CID 65268520

IUPACN-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2(c3ccccc3)CC2)ns1
InChIInChI=1S/C13H15N3S/c1-2-14-12-15-11(16-17-12)13(8-9-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,16)
InChIKeyQHETXXLQOGKLSL-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.05
Rot. Bonds4

About N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268520) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268520
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C2(c3ccccc3)CC2)ns1
InChIInChI=1S/C13H15N3S/c1-2-14-12-15-11(16-17-12)13(8-9-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,16)
InChIKeyQHETXXLQOGKLSL-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-(1-phenylcyclopropyl)-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 N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine (CID 65268520) is N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(C2(c3ccccc3)CC2)ns1.
What is the InChIKey of N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QHETXXLQOGKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-14-12-15-11(16-17-12)13(8-9-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-phenylcyclopropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).