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

C9H16N4S — CID 65275883

IUPAC3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCNC2)n1
InChIInChI=1S/C9H16N4S/c1-6(2)8-12-9(14-13-8)11-7-3-4-10-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXTSQAEQGOYSSSF-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.44
Rot. Bonds3

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

3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65275883) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID65275883
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCNC2)n1
InChIInChI=1S/C9H16N4S/c1-6(2)8-12-9(14-13-8)11-7-3-4-10-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyXTSQAEQGOYSSSF-UHFFFAOYSA-N
XLogP1.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine (CID 65275883) is 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CCNC2)n1.
What is the InChIKey of 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is XTSQAEQGOYSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6(2)8-12-9(14-13-8)11-7-3-4-10-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).