2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine

C16H20N2OS — CID 126670619

IUPAC2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine
SMILESCC(C)c1sc2c(c1N)N(C(C)C)c1ccccc1O2
InChIInChI=1S/C16H20N2OS/c1-9(2)15-13(17)14-16(20-15)19-12-8-6-5-7-11(12)18(14)10(3)4/h5-10H,17H2,1-4H3
InChIKeyIVIVUIOIFUGWLQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP5.11
Rot. Bonds2

About 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine

2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine (PubChem CID 126670619) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine
PubChem CID126670619
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine
SMILESCC(C)c1sc2c(c1N)N(C(C)C)c1ccccc1O2
InChIInChI=1S/C16H20N2OS/c1-9(2)15-13(17)14-16(20-15)19-12-8-6-5-7-11(12)18(14)10(3)4/h5-10H,17H2,1-4H3
InChIKeyIVIVUIOIFUGWLQ-UHFFFAOYSA-N
XLogP5.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine?
The IUPAC name of 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine (CID 126670619) is 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine.
What is the SMILES notation for 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine?
The canonical SMILES for 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine is CC(C)c1sc2c(c1N)N(C(C)C)c1ccccc1O2.
What is the InChIKey of 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine?
The InChIKey is IVIVUIOIFUGWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-9(2)15-13(17)14-16(20-15)19-12-8-6-5-7-11(12)18(14)10(3)4/h5-10H,17H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine?
2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine has a molecular weight of 288.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine is sourced from PubChem (CID 126670619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).