2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

C12H8Cl2N4S3 — CID 20821229

IUPAC2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2C)s1
InChIInChI=1S/C12H8Cl2N4S3/c1-5-10(20-12-18-17-11(19-2)21-12)16-9-4-7(14)6(13)3-8(9)15-5/h3-4H,1-2H3
InChIKeyZVINZEQCZFWZLA-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.97
Rot. Bonds3

About 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 20821229) has the molecular formula C12H8Cl2N4S3 and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID20821229
Molecular FormulaC12H8Cl2N4S3
Molecular Weight375.33 g/mol
Exact Mass373.93
IUPAC Name2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2C)s1
InChIInChI=1S/C12H8Cl2N4S3/c1-5-10(20-12-18-17-11(19-2)21-12)16-9-4-7(14)6(13)3-8(9)15-5/h3-4H,1-2H3
InChIKeyZVINZEQCZFWZLA-UHFFFAOYSA-N
XLogP4.97
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole 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-(6-chloro-3-methylquinoxalin-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 22341086
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 115383212
2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 20821210
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336
2-[(2-chloro-7H-purin-6-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 104787570
1-[2-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114065001
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile
CID 113298615
5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 20821178
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 20821229) is 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2C)s1.
What is the InChIKey of 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is ZVINZEQCZFWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S3/c1-5-10(20-12-18-17-11(19-2)21-12)16-9-4-7(14)6(13)3-8(9)15-5/h3-4H,1-2H3.
What are the key properties of 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 375.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 20821229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).