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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Related Compounds

(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
(Z)-5-((1H-indol-3-yl)methylene)thiazolidine-2,4-dione
CID 135420896
(5Z)-5-(1H-indol-3-ylmethylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 135469806
2-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 135441783
PKG drug G1
CID 135402990
3-[5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 135529615
3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 135935133
(5Z)-5-[(1H-indol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1543949
3-Ethyl-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135400590
(5Z)-4-hydroxy-5-(1H-indol-3-ylmethylidene)-1,3-thiazole-2(5H)-thione
CID 135420903
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazole-2-thione
CID 135670376
3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazole-2-thione
CID 135745856

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).