3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 65269292

IUPAC3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCCC(C)c1nsc(NC2CC2)n1
InChIInChI=1S/C9H15N3S/c1-3-6(2)8-11-9(13-12-8)10-7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyNQDWDUKNZCUBFC-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.63
Rot. Bonds4

About 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine

3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65269292) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65269292
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCCC(C)c1nsc(NC2CC2)n1
InChIInChI=1S/C9H15N3S/c1-3-6(2)8-11-9(13-12-8)10-7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyNQDWDUKNZCUBFC-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65269292) is 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine is CCC(C)c1nsc(NC2CC2)n1.
What is the InChIKey of 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NQDWDUKNZCUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-6(2)8-11-9(13-12-8)10-7-4-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).