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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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).