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

C18H12N4S3 — CID 50992957

IUPAC6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCc1nc2c(-c3cccs3)c3nsnc3c(-c3cccs3)c2nc1C
InChIInChI=1S/C18H12N4S3/c1-9-10(2)20-16-14(12-6-4-8-24-12)18-17(21-25-22-18)13(15(16)19-9)11-5-3-7-23-11/h3-8H,1-2H3
InChIKeyBJRYJTQEPCZOFA-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.71
Rot. Bonds2

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

6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 50992957) has the molecular formula C18H12N4S3 and a molecular weight of 380.52 g/mol. Its IUPAC name is 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID50992957
Molecular FormulaC18H12N4S3
Molecular Weight380.52 g/mol
Exact Mass380.02
IUPAC Name6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCc1nc2c(-c3cccs3)c3nsnc3c(-c3cccs3)c2nc1C
InChIInChI=1S/C18H12N4S3/c1-9-10(2)20-16-14(12-6-4-8-24-12)18-17(21-25-22-18)13(15(16)19-9)11-5-3-7-23-11/h3-8H,1-2H3
InChIKeyBJRYJTQEPCZOFA-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

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

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Related Compounds

7-methyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-6-carbonitrile
CID 167190829
4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 67384162
4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 164741343
5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
CID 170016732
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
5,6-didodecoxy-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
CID 102306399
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole-5,6-diamine;4,7-dithiophen-2-yl-2,1,3-benzothiadiazole-5,6-diamine
CID 157485731
2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344435
2-(2,6-dimethylphenyl)thiophene
CID 58838883
4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 91056962
9,20-dithiophen-2-yl-4,10,15,21-tetrathia-3,5,14,16-tetrazahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1(12),2,5,7(11),8,13,16,18(22),19-nonaene
CID 177422656
1,3-dimethyl-5-thiophen-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 142691977

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 50992957) is 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is Cc1nc2c(-c3cccs3)c3nsnc3c(-c3cccs3)c2nc1C.
What is the InChIKey of 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is BJRYJTQEPCZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S3/c1-9-10(2)20-16-14(12-6-4-8-24-12)18-17(21-25-22-18)13(15(16)19-9)11-5-3-7-23-11/h3-8H,1-2H3.
What are the key properties of 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
6,7-dimethyl-4,9-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 6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 50992957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).