3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione

C12H13N3OS2 — CID 135672444

IUPAC3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/N=N/c2ccccc2C)sc1=S
InChIInChI=1S/C12H13N3OS2/c1-3-15-11(16)10(18-12(15)17)14-13-9-7-5-4-6-8(9)2/h4-7,16H,3H2,1-2H3/b14-13+
InChIKeyFQHZPQZOLMVZGH-BUHFOSPRSA-N
MW279.39 g/mol
LogP4.73
Rot. Bonds3

About 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione

3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione (PubChem CID 135672444) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione
PubChem CID135672444
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/N=N/c2ccccc2C)sc1=S
InChIInChI=1S/C12H13N3OS2/c1-3-15-11(16)10(18-12(15)17)14-13-9-7-5-4-6-8(9)2/h4-7,16H,3H2,1-2H3/b14-13+
InChIKeyFQHZPQZOLMVZGH-BUHFOSPRSA-N
XLogP4.73
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.73
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione (CID 135672444) is 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione is CCn1c(O)c(/N=N/c2ccccc2C)sc1=S.
What is the InChIKey of 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione?
The InChIKey is FQHZPQZOLMVZGH-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-3-15-11(16)10(18-12(15)17)14-13-9-7-5-4-6-8(9)2/h4-7,16H,3H2,1-2H3/b14-13+.
What are the key properties of 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione?
3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione has a molecular weight of 279.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-[(2-methylphenyl)diazenyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135672444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).