5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole

C18H18N2S2 — CID 162666812

IUPAC5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
SMILESCSc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C18H18N2S2/c1-20-9-8-15-10-13(6-7-16(15)20)4-5-14-11-17(21-2)19-18(12-14)22-3/h4-12H,1-3H3/b5-4-
InChIKeyNRYSSWLSTGQYHS-PLNGDYQASA-N
MW326.49 g/mol
LogP5.19
Rot. Bonds4

About 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole

5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole (PubChem CID 162666812) has the molecular formula C18H18N2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole.

Molecular Properties

Compound Name5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
PubChem CID162666812
Molecular FormulaC18H18N2S2
Molecular Weight326.49 g/mol
Exact Mass326.09
IUPAC Name5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
SMILESCSc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C18H18N2S2/c1-20-9-8-15-10-13(6-7-16(15)20)4-5-14-11-17(21-2)19-18(12-14)22-3/h4-12H,1-3H3/b5-4-
InChIKeyNRYSSWLSTGQYHS-PLNGDYQASA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole?
The IUPAC name of 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole (CID 162666812) is 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole.
What is the SMILES notation for 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole?
The canonical SMILES for 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole is CSc1cc(/C=C\c2ccc3c(ccn3C)c2)cc(SC)n1.
What is the InChIKey of 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole?
The InChIKey is NRYSSWLSTGQYHS-PLNGDYQASA-N. The full InChI is InChI=1S/C18H18N2S2/c1-20-9-8-15-10-13(6-7-16(15)20)4-5-14-11-17(21-2)19-18(12-14)22-3/h4-12H,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole?
5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole has a molecular weight of 326.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole is sourced from PubChem (CID 162666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).