2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole

C17H10Cl2N4S3 — CID 20821210

IUPAC2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2/C=C/c2cccs2)s1
InChIInChI=1S/C17H10Cl2N4S3/c1-9-22-23-17(25-9)26-16-13(5-4-10-3-2-6-24-10)20-14-7-11(18)12(19)8-15(14)21-16/h2-8H,1H3/b5-4+
InChIKeyFOSRLAUCZNHKNA-SNAWJCMRSA-N
MW437.40 g/mol
LogP6.48
Rot. Bonds4

About 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole

2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 20821210) has the molecular formula C17H10Cl2N4S3 and a molecular weight of 437.40 g/mol. Its IUPAC name is 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID20821210
Molecular FormulaC17H10Cl2N4S3
Molecular Weight437.40 g/mol
Exact Mass435.94
IUPAC Name2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2/C=C/c2cccs2)s1
InChIInChI=1S/C17H10Cl2N4S3/c1-9-22-23-17(25-9)26-16-13(5-4-10-3-2-6-24-10)20-14-7-11(18)12(19)8-15(14)21-16/h2-8H,1H3/b5-4+
InChIKeyFOSRLAUCZNHKNA-SNAWJCMRSA-N
XLogP6.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.40
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 20821178
2-(6-chloro-3-methylquinoxalin-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 22341086
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 103322977
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 18709225
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzaldehyde
CID 81159058
5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 102207232
6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
CID 26452190
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole (CID 20821210) is 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2/C=C/c2cccs2)s1.
What is the InChIKey of 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is FOSRLAUCZNHKNA-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H10Cl2N4S3/c1-9-22-23-17(25-9)26-16-13(5-4-10-3-2-6-24-10)20-14-7-11(18)12(19)8-15(14)21-16/h2-8H,1H3/b5-4+.
What are the key properties of 2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole?
2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 437.40 g/mol, XLogP of 6.48, 4 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-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 20821210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).