5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine

C18H11Cl2N5S2 — CID 20821178

IUPAC5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2/C=C/c2ccccc2)s1
InChIInChI=1S/C18H11Cl2N5S2/c19-11-8-14-15(9-12(11)20)23-16(26-18-25-24-17(21)27-18)13(22-14)7-6-10-4-2-1-3-5-10/h1-9H,(H2,21,24)/b7-6+
InChIKeyFKOAEAQBIOUPKT-VOTSOKGWSA-N
MW432.36 g/mol
LogP5.69
Rot. Bonds4

About 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine

5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 20821178) has the molecular formula C18H11Cl2N5S2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID20821178
Molecular FormulaC18H11Cl2N5S2
Molecular Weight432.36 g/mol
Exact Mass430.98
IUPAC Name5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2/C=C/c2ccccc2)s1
InChIInChI=1S/C18H11Cl2N5S2/c19-11-8-14-15(9-12(11)20)23-16(26-18-25-24-17(21)27-18)13(22-14)7-6-10-4-2-1-3-5-10/h1-9H,(H2,21,24)/b7-6+
InChIKeyFKOAEAQBIOUPKT-VOTSOKGWSA-N
XLogP5.69
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

6,7-dichloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline
CID 20821213
2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 20821210
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]quinoxaline-2-carboxylic acid
CID 94673392
6,7-difluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-[(E)-2-phenylethenyl]quinoxaline
CID 20821238
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
5-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18708491
5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 130636779
3,4-dichloro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5289843
4-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 18432979
[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 115383212
5-(2-phenylethenyl)thiophen-2-amine
CID 175243040
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959

Frequently Asked Questions

What is the IUPAC name of 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 20821178) is 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine is Nc1nnc(Sc2nc3cc(Cl)c(Cl)cc3nc2/C=C/c2ccccc2)s1.
What is the InChIKey of 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FKOAEAQBIOUPKT-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H11Cl2N5S2/c19-11-8-14-15(9-12(11)20)23-16(26-18-25-24-17(21)27-18)13(22-14)7-6-10-4-2-1-3-5-10/h1-9H,(H2,21,24)/b7-6+.
What are the key properties of 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine?
5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 432.36 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 20821178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).