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

C6H11N3S — CID 3455942

IUPAC5-butan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)c1nnc(N)s1
InChIInChI=1S/C6H11N3S/c1-3-4(2)5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyITHBEZPPWOVHKS-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.63
Rot. Bonds2

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

5-butan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 3455942) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-butan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID3455942
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-butan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)c1nnc(N)s1
InChIInChI=1S/C6H11N3S/c1-3-4(2)5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyITHBEZPPWOVHKS-UHFFFAOYSA-N
XLogP1.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yl-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 5-butan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butan-2-yl-1,3,4-thiadiazol-2-amine (CID 3455942) is 5-butan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butan-2-yl-1,3,4-thiadiazol-2-amine is CCC(C)c1nnc(N)s1.
What is the InChIKey of 5-butan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is ITHBEZPPWOVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-4(2)5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9).
What are the key properties of 5-butan-2-yl-1,3,4-thiadiazol-2-amine?
5-butan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3455942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).