4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione

C19H14N2OS2 — CID 135411952

IUPAC4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=S)n(-c2ccccc2)c1O
InChIInChI=1S/C19H14N2OS2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-18(22)21(19(23)24-17)13-7-3-2-4-8-13/h2-11,22H,1H3/b15-11+
InChIKeyUVIDEYZFBYPHBE-RVDMUPIBSA-N
MW350.47 g/mol
LogP5.62
Rot. Bonds2

About 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione

4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione (PubChem CID 135411952) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione
PubChem CID135411952
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=S)n(-c2ccccc2)c1O
InChIInChI=1S/C19H14N2OS2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-18(22)21(19(23)24-17)13-7-3-2-4-8-13/h2-11,22H,1H3/b15-11+
InChIKeyUVIDEYZFBYPHBE-RVDMUPIBSA-N
XLogP5.62
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione (CID 135411952) is 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione is CC1=Nc2ccccc2/C1=C/c1sc(=S)n(-c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione?
The InChIKey is UVIDEYZFBYPHBE-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-18(22)21(19(23)24-17)13-7-3-2-4-8-13/h2-11,22H,1H3/b15-11+.
What are the key properties of 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione?
4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione has a molecular weight of 350.47 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 135411952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).