5-methylthieno[3,2-b][1,4]benzoxazepine

C12H9NOS — CID 13291047

IUPAC5-methylthieno[3,2-b][1,4]benzoxazepine
SMILESCC1=Nc2sccc2Oc2ccccc21
InChIInChI=1S/C12H9NOS/c1-8-9-4-2-3-5-10(9)14-11-6-7-15-12(11)13-8/h2-7H,1H3
InChIKeyUWHPDQPRJNERGW-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.99
Rot. Bonds

About 5-methylthieno[3,2-b][1,4]benzoxazepine

5-methylthieno[3,2-b][1,4]benzoxazepine (PubChem CID 13291047) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-methylthieno[3,2-b][1,4]benzoxazepine.

Molecular Properties

Compound Name5-methylthieno[3,2-b][1,4]benzoxazepine
PubChem CID13291047
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name5-methylthieno[3,2-b][1,4]benzoxazepine
SMILESCC1=Nc2sccc2Oc2ccccc21
InChIInChI=1S/C12H9NOS/c1-8-9-4-2-3-5-10(9)14-11-6-7-15-12(11)13-8/h2-7H,1H3
InChIKeyUWHPDQPRJNERGW-UHFFFAOYSA-N
XLogP3.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylthieno[3,2-b][1,4]benzoxazepine?
The IUPAC name of 5-methylthieno[3,2-b][1,4]benzoxazepine (CID 13291047) is 5-methylthieno[3,2-b][1,4]benzoxazepine.
What is the SMILES notation for 5-methylthieno[3,2-b][1,4]benzoxazepine?
The canonical SMILES for 5-methylthieno[3,2-b][1,4]benzoxazepine is CC1=Nc2sccc2Oc2ccccc21.
What is the InChIKey of 5-methylthieno[3,2-b][1,4]benzoxazepine?
The InChIKey is UWHPDQPRJNERGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-8-9-4-2-3-5-10(9)14-11-6-7-15-12(11)13-8/h2-7H,1H3.
What are the key properties of 5-methylthieno[3,2-b][1,4]benzoxazepine?
5-methylthieno[3,2-b][1,4]benzoxazepine has a molecular weight of 215.28 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthieno[3,2-b][1,4]benzoxazepine is sourced from PubChem (CID 13291047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).