4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione

C12H8N2OS2 — CID 135501994

IUPAC4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5-
InChIKeyTZMYVTIZPGJYJU-ALCCZGGFSA-N
MW260.34 g/mol
LogP3.77
Rot. Bonds1

About 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione

4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione (PubChem CID 135501994) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione
PubChem CID135501994
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5-
InChIKeyTZMYVTIZPGJYJU-ALCCZGGFSA-N
XLogP3.77
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione (CID 135501994) is 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione is Oc1[nH]c(=S)sc1/C=C1/C=Nc2ccccc21.
What is the InChIKey of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione?
The InChIKey is TZMYVTIZPGJYJU-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5-.
What are the key properties of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione?
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione has a molecular weight of 260.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 135501994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).