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

C11H10N2O2S2 — CID 21039588

IUPAC8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESCSc1sc(C(N)=O)c2c1-c1oncc1CC2
InChIInChI=1S/C11H10N2O2S2/c1-16-11-7-6(9(17-11)10(12)14)3-2-5-4-13-15-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
InChIKeyTXXLEGOAEROBLW-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.32
Rot. Bonds2

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

8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide (PubChem CID 21039588) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide.

Molecular Properties

Compound Name8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
PubChem CID21039588
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESCSc1sc(C(N)=O)c2c1-c1oncc1CC2
InChIInChI=1S/C11H10N2O2S2/c1-16-11-7-6(9(17-11)10(12)14)3-2-5-4-13-15-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
InChIKeyTXXLEGOAEROBLW-UHFFFAOYSA-N
XLogP2.32
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The IUPAC name of 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide (CID 21039588) is 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide.
What is the SMILES notation for 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The canonical SMILES for 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide is CSc1sc(C(N)=O)c2c1-c1oncc1CC2.
What is the InChIKey of 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The InChIKey is TXXLEGOAEROBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-16-11-7-6(9(17-11)10(12)14)3-2-5-4-13-15-8(5)7/h4H,2-3H2,1H3,(H2,12,14).
What are the key properties of 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide is sourced from PubChem (CID 21039588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).