4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine

C13H14N2OS — CID 146937184

IUPAC4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine
SMILESCC(C)N1c2ccccc2Oc2scc(N)c21
InChIInChI=1S/C13H14N2OS/c1-8(2)15-10-5-3-4-6-11(10)16-13-12(15)9(14)7-17-13/h3-8H,14H2,1-2H3
InChIKeyAGDSZGGFKTVTAH-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.98
Rot. Bonds1

About 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine

4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine (PubChem CID 146937184) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine.

Molecular Properties

Compound Name4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine
PubChem CID146937184
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine
SMILESCC(C)N1c2ccccc2Oc2scc(N)c21
InChIInChI=1S/C13H14N2OS/c1-8(2)15-10-5-3-4-6-11(10)16-13-12(15)9(14)7-17-13/h3-8H,14H2,1-2H3
InChIKeyAGDSZGGFKTVTAH-UHFFFAOYSA-N
XLogP3.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine?
The IUPAC name of 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine (CID 146937184) is 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine.
What is the SMILES notation for 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine?
The canonical SMILES for 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine is CC(C)N1c2ccccc2Oc2scc(N)c21.
What is the InChIKey of 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine?
The InChIKey is AGDSZGGFKTVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8(2)15-10-5-3-4-6-11(10)16-13-12(15)9(14)7-17-13/h3-8H,14H2,1-2H3.
What are the key properties of 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine?
4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylthieno[2,3-b][1,4]benzoxazin-3-amine is sourced from PubChem (CID 146937184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).