3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65268711

IUPAC3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(N2CCCCCC2)ns1
InChIInChI=1S/C11H20N4S/c1-9(2)12-11-13-10(14-16-11)15-7-5-3-4-6-8-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeySTXPEJBIJTXSLL-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.74
Rot. Bonds3

About 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268711) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268711
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(N2CCCCCC2)ns1
InChIInChI=1S/C11H20N4S/c1-9(2)12-11-13-10(14-16-11)15-7-5-3-4-6-8-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeySTXPEJBIJTXSLL-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268711) is 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(N2CCCCCC2)ns1.
What is the InChIKey of 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is STXPEJBIJTXSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(2)12-11-13-10(14-16-11)15-7-5-3-4-6-8-15/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).