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

C9H15N3S — CID 103736542

IUPAC3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CC2CC)n1
InChIInChI=1S/C9H15N3S/c1-3-6-5-7(6)10-9-11-8(4-2)12-13-9/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHLHIACBQNNEZGL-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.31
Rot. Bonds4

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

3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103736542) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
PubChem CID103736542
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CC2CC)n1
InChIInChI=1S/C9H15N3S/c1-3-6-5-7(6)10-9-11-8(4-2)12-13-9/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHLHIACBQNNEZGL-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine (CID 103736542) is 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CC2CC)n1.
What is the InChIKey of 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HLHIACBQNNEZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-6-5-7(6)10-9-11-8(4-2)12-13-9/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103736542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).