4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

C18H12N4S3 — CID 164741343

IUPAC4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCc1c2nsnc2c(C)c2nc(-c3cccs3)c(-c3cccs3)nc12
InChIInChI=1S/C18H12N4S3/c1-9-13-14(10(2)16-15(9)21-25-22-16)20-18(12-6-4-8-24-12)17(19-13)11-5-3-7-23-11/h3-8H,1-2H3
InChIKeyVDGDUYHNTFVOPV-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.71
Rot. Bonds2

About 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 164741343) has the molecular formula C18H12N4S3 and a molecular weight of 380.52 g/mol. Its IUPAC name is 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID164741343
Molecular FormulaC18H12N4S3
Molecular Weight380.52 g/mol
Exact Mass380.02
IUPAC Name4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCc1c2nsnc2c(C)c2nc(-c3cccs3)c(-c3cccs3)nc12
InChIInChI=1S/C18H12N4S3/c1-9-13-14(10(2)16-15(9)21-25-22-16)20-18(12-6-4-8-24-12)17(19-13)11-5-3-7-23-11/h3-8H,1-2H3
InChIKeyVDGDUYHNTFVOPV-UHFFFAOYSA-N
XLogP5.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 50992957
5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
CID 170016732
4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 91056962
4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 67384162
7-methyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-6-carbonitrile
CID 167190829
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
CID 162717711
9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 166512417
4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 11367830
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
2-cyclopropyl-5-methyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80975062
(4-methyl-3-thiophen-2-yl-1H-pyrazol-5-yl)boronic acid
CID 67126930
6-bromo-2,3-dithiophen-2-ylquinoxaline
CID 130199488

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 164741343) is 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is Cc1c2nsnc2c(C)c2nc(-c3cccs3)c(-c3cccs3)nc12.
What is the InChIKey of 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is VDGDUYHNTFVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S3/c1-9-13-14(10(2)16-15(9)21-25-22-16)20-18(12-6-4-8-24-12)17(19-13)11-5-3-7-23-11/h3-8H,1-2H3.
What are the key properties of 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline has a molecular weight of 380.52 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 164741343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).