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

C14H12N2OS2 — CID 135400590

IUPAC3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S
InChIInChI=1S/C14H12N2OS2/c1-2-16-13(17)12(19-14(16)18)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,17H,2H2,1H3/b9-7+
InChIKeyBYZDFSNRACWQHG-VQHVLOKHSA-N
MW288.40 g/mol
LogP4.26
Rot. Bonds2

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

3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione (PubChem CID 135400590) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
PubChem CID135400590
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S
InChIInChI=1S/C14H12N2OS2/c1-2-16-13(17)12(19-14(16)18)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,17H,2H2,1H3/b9-7+
InChIKeyBYZDFSNRACWQHG-VQHVLOKHSA-N
XLogP4.26
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
CID 170221
Rhodanine, 5-(3-indolylmethylene)-
CID 135501994
(5Z)-5-[(phenylamino)methylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
CID 1870876
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
(5E)-5-[(benzylamino)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
CID 1892479
(Z)-5-((1H-indol-3-yl)methylene)thiazolidine-2,4-dione
CID 135420896
6-(5-((1H-indol-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid
CID 135993357
(5Z)-5-(1H-indol-3-ylmethylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 135469806
5-(Anilinomethylene)-3-benzyl-2-thioxo-1,3-thiazolidin-4-one
CID 1215260
(5Z)-5-(anilinomethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4274100
3-[(5Z)-5-(1H-indol-3-ylmethylidene)-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione (CID 135400590) is 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione is CCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S.
What is the InChIKey of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
The InChIKey is BYZDFSNRACWQHG-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-2-16-13(17)12(19-14(16)18)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,17H,2H2,1H3/b9-7+.
What are the key properties of 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione has a molecular weight of 288.40 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135400590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).