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

C12H14N2O2S2 — CID 158912587

IUPACmethane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESC.CSc1sc(C(N)=O)c2c1-c1oncc1CC2
InChIInChI=1S/C11H10N2O2S2.CH4/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);1H4
InChIKeyJGVKIEBFSBVXLR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.96
Rot. Bonds2

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

methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide (PubChem CID 158912587) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide.

Molecular Properties

Compound Namemethane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
PubChem CID158912587
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Namemethane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
SMILESC.CSc1sc(C(N)=O)c2c1-c1oncc1CC2
InChIInChI=1S/C11H10N2O2S2.CH4/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);1H4
InChIKeyJGVKIEBFSBVXLR-UHFFFAOYSA-N
XLogP2.96
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methane;8-methylsulfanyl-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

Related Compounds

8-Methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide
CID 21039588
3-Ethyl-4-(4-methylisoxazol-5-yl)-5-(methylthio)thiophene-2-carboxamide
CID 9817233
Ethyl 8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxylate
CID 21039589
Ethyl 8-methylsulfinyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxylate
CID 21039593
Ethyl 8-methylsulfonyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxylate
CID 21039596
(8-ethylsulfanyl-4,4-dimethyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-ylmethanone
CID 9885329
(4,4-dimethyl-8-propan-2-ylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-ylmethanone
CID 9886004
(4,4-Dimethyl-8-methylthio-4,5-dihydrothieno[3,4-g]-1,2-benzisoxazol-6-yl)(pyrrolidin-1-yl)methanone
CID 9906336
(4,4-dimethyl-8-methylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-morpholin-4-ylmethanone
CID 9907106
(4,4-dimethyl-8-propylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-pyrrolidin-1-ylmethanone
CID 9907705
(4,4-dimethyl-8-methylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazol-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 9929630
N-cyclohexyl-N,4,4-trimethyl-8-methylsulfanyl-5H-thieno[3,4-g][1,2]benzoxazole-6-carboxamide
CID 9930346

Frequently Asked Questions

What is the IUPAC name of methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The IUPAC name of methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide (CID 158912587) is methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide.
What is the SMILES notation for methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The canonical SMILES for methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide is C.CSc1sc(C(N)=O)c2c1-c1oncc1CC2.
What is the InChIKey of methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
The InChIKey is JGVKIEBFSBVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2.CH4/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);1H4.
What are the key properties of methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide?
methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;8-methylsulfanyl-4,5-dihydrothieno[3,4-g][1,2]benzoxazole-6-carboxamide is sourced from PubChem (CID 158912587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).