1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine

C7H13N3S — CID 65280169

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCc1nsc(CC(C)N)n1
InChIInChI=1S/C7H13N3S/c1-3-6-9-7(11-10-6)4-5(2)8/h5H,3-4,8H2,1-2H3
InChIKeyCNBNABAZLRJSKE-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.99
Rot. Bonds3

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine

1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65280169) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65280169
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCCc1nsc(CC(C)N)n1
InChIInChI=1S/C7H13N3S/c1-3-6-9-7(11-10-6)4-5(2)8/h5H,3-4,8H2,1-2H3
InChIKeyCNBNABAZLRJSKE-UHFFFAOYSA-N
XLogP0.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-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 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65280169) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine is CCc1nsc(CC(C)N)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is CNBNABAZLRJSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-6-9-7(11-10-6)4-5(2)8/h5H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65280169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).