5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione

C19H15N3OS2 — CID 135991435

IUPAC5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione
SMILESCCc1cccc2c1N=C/C2=C/c1sc(=S)n(-c2cccnc2)c1O
InChIInChI=1S/C19H15N3OS2/c1-2-12-5-3-7-15-13(10-21-17(12)15)9-16-18(23)22(19(24)25-16)14-6-4-8-20-11-14/h3-11,23H,2H2,1H3/b13-9-
InChIKeyNMUYMQBRZHGKPZ-LCYFTJDESA-N
MW365.48 g/mol
LogP5.19
Rot. Bonds3

About 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione

5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione (PubChem CID 135991435) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione
PubChem CID135991435
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione
SMILESCCc1cccc2c1N=C/C2=C/c1sc(=S)n(-c2cccnc2)c1O
InChIInChI=1S/C19H15N3OS2/c1-2-12-5-3-7-15-13(10-21-17(12)15)9-16-18(23)22(19(24)25-16)14-6-4-8-20-11-14/h3-11,23H,2H2,1H3/b13-9-
InChIKeyNMUYMQBRZHGKPZ-LCYFTJDESA-N
XLogP5.19
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione?
The IUPAC name of 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione (CID 135991435) is 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione is CCc1cccc2c1N=C/C2=C/c1sc(=S)n(-c2cccnc2)c1O.
What is the InChIKey of 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione?
The InChIKey is NMUYMQBRZHGKPZ-LCYFTJDESA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-2-12-5-3-7-15-13(10-21-17(12)15)9-16-18(23)22(19(24)25-16)14-6-4-8-20-11-14/h3-11,23H,2H2,1H3/b13-9-.
What are the key properties of 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione?
5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione has a molecular weight of 365.48 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-pyridin-3-yl-1,3-thiazole-2-thione is sourced from PubChem (CID 135991435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).