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

C5H9N3S — CID 581957

IUPAC3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N)n1
InChIInChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)
InChIKeyLSGLMPMOLFSULL-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.24
Rot. Bonds1

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

3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 581957) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID581957
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N)n1
InChIInChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)
InChIKeyLSGLMPMOLFSULL-UHFFFAOYSA-N
XLogP1.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 581957) is 3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N)n1.
What is the InChIKey of 3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is LSGLMPMOLFSULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8).
What are the key properties of 3-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 143.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 581957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).