2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one

C17H12N2O5S — CID 10428335

IUPAC2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
SMILESCOc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O
InChIInChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3
InChIKeyICWQWAYKJOHWBL-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.43
Rot. Bonds2

About 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one

2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one (PubChem CID 10428335) has the molecular formula C17H12N2O5S and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
PubChem CID10428335
Molecular FormulaC17H12N2O5S
Molecular Weight356.36 g/mol
Exact Mass356.05
IUPAC Name2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
SMILESCOc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O
InChIInChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3
InChIKeyICWQWAYKJOHWBL-UHFFFAOYSA-N
XLogP2.43
TPSA99.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one 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

2-Methoxy-6-(2-methyltetrazol-5-yl)-10,10-dioxothioxanthen-9-one
CID 10428336
3-(5-Methoxy-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10593378
6-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-propoxy-thioxanthen-9-one
CID 10665689
3-(5-Methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10687564
3-(5-Ethyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10688503
6-(2-Methyltetrazol-5-yl)-10,10-dioxo-2-propoxythioxanthen-9-one
CID 10762573
2-Methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one
CID 10783334
3-[[5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-benzothiophene 1,1-dioxide
CID 145983656
4-[5-[2-(3-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 162671810
2-[2-(4-Methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 2812945
10,10-Dioxo-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]thioxanthen-9-one
CID 10786002
[4-(1,3,4-Oxadiazol-2-yl)phenyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 2425198

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one?
The IUPAC name of 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one (CID 10428335) is 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one is COc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O.
What is the InChIKey of 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one?
The InChIKey is ICWQWAYKJOHWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5S/c1-9-18-19-17(24-9)10-3-5-12-15(7-10)25(21,22)14-6-4-11(23-2)8-13(14)16(12)20/h3-8H,1-2H3.
What are the key properties of 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one?
2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one has a molecular weight of 356.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10428335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).