2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one

C12H10N4O2S — CID 4566658

IUPAC2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one
SMILESCn1c(O)c(/N=N/C2=NC(=O)CS2)c2ccccc21
InChIInChI=1S/C12H10N4O2S/c1-16-8-5-3-2-4-7(8)10(11(16)18)14-15-12-13-9(17)6-19-12/h2-5,18H,6H2,1H3/b15-14+
InChIKeyFPXRXLRJDMFERY-CCEZHUSRSA-N
MW274.31 g/mol
LogP2.60
Rot. Bonds1

About 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one

2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one (PubChem CID 4566658) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one
PubChem CID4566658
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one
SMILESCn1c(O)c(/N=N/C2=NC(=O)CS2)c2ccccc21
InChIInChI=1S/C12H10N4O2S/c1-16-8-5-3-2-4-7(8)10(11(16)18)14-15-12-13-9(17)6-19-12/h2-5,18H,6H2,1H3/b15-14+
InChIKeyFPXRXLRJDMFERY-CCEZHUSRSA-N
XLogP2.60
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one (CID 4566658) is 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one is Cn1c(O)c(/N=N/C2=NC(=O)CS2)c2ccccc21.
What is the InChIKey of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one?
The InChIKey is FPXRXLRJDMFERY-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-16-8-5-3-2-4-7(8)10(11(16)18)14-15-12-13-9(17)6-19-12/h2-5,18H,6H2,1H3/b15-14+.
What are the key properties of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one?
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one has a molecular weight of 274.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one is sourced from PubChem (CID 4566658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).