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

C12H9N3OS2 — CID 135935133

IUPAC3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
SMILESNn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S
InChIInChI=1S/C12H9N3OS2/c13-15-11(16)10(18-12(15)17)5-7-6-14-9-4-2-1-3-8(7)9/h1-6,16H,13H2/b7-5+
InChIKeyQWRHXRXXNVEXPM-FNORWQNLSA-N
MW275.36 g/mol
LogP2.95
Rot. Bonds1

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

3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione (PubChem CID 135935133) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
PubChem CID135935133
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
SMILESNn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S
InChIInChI=1S/C12H9N3OS2/c13-15-11(16)10(18-12(15)17)5-7-6-14-9-4-2-1-3-8(7)9/h1-6,16H,13H2/b7-5+
InChIKeyQWRHXRXXNVEXPM-FNORWQNLSA-N
XLogP2.95
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Rhodanine, 5-(3-indolylmethylene)-
CID 135501994
(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
3-[5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 135529615
(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
3-[4-Hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 1202403
(5Z)-5-[(1H-indol-3-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1386732
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
CID 135719225

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione (CID 135935133) is 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione is Nn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=S.
What is the InChIKey of 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
The InChIKey is QWRHXRXXNVEXPM-FNORWQNLSA-N. The full InChI is InChI=1S/C12H9N3OS2/c13-15-11(16)10(18-12(15)17)5-7-6-14-9-4-2-1-3-8(7)9/h1-6,16H,13H2/b7-5+.
What are the key properties of 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione?
3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione has a molecular weight of 275.36 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135935133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).