8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide

C12H12N2O2S — CID 59088968

IUPAC8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESCCc1sc(C(N)=O)c2c1-c1oncc1CC2
InChIInChI=1S/C12H12N2O2S/c1-2-8-9-7(11(17-8)12(13)15)4-3-6-5-14-16-10(6)9/h5H,2-4H2,1H3,(H2,13,15)
InChIKeyNCEMPZJCTVOCIQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.16
Rot. Bonds2

About 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide

8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide (PubChem CID 59088968) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide.

Molecular Properties

Compound Name8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
PubChem CID59088968
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESCCc1sc(C(N)=O)c2c1-c1oncc1CC2
InChIInChI=1S/C12H12N2O2S/c1-2-8-9-7(11(17-8)12(13)15)4-3-6-5-14-16-10(6)9/h5H,2-4H2,1H3,(H2,13,15)
InChIKeyNCEMPZJCTVOCIQ-UHFFFAOYSA-N
XLogP2.16
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The IUPAC name of 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide (CID 59088968) is 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide.
What is the SMILES notation for 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The canonical SMILES for 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide is CCc1sc(C(N)=O)c2c1-c1oncc1CC2.
What is the InChIKey of 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The InChIKey is NCEMPZJCTVOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-8-9-7(11(17-8)12(13)15)4-3-6-5-14-16-10(6)9/h5H,2-4H2,1H3,(H2,13,15).
What are the key properties of 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide is sourced from PubChem (CID 59088968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).