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

C11H10ClN3OS2 — CID 135672436

IUPAC5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/N=N/c2ccc(Cl)cc2)sc1=S
InChIInChI=1S/C11H10ClN3OS2/c1-2-15-10(16)9(18-11(15)17)14-13-8-5-3-7(12)4-6-8/h3-6,16H,2H2,1H3/b14-13+
InChIKeyPBFSWJBKWDZDCV-BUHFOSPRSA-N
MW299.81 g/mol
LogP5.07
Rot. Bonds3

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

5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 135672436) has the molecular formula C11H10ClN3OS2 and a molecular weight of 299.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
PubChem CID135672436
Molecular FormulaC11H10ClN3OS2
Molecular Weight299.81 g/mol
Exact Mass299.00
IUPAC Name5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
SMILESCCn1c(O)c(/N=N/c2ccc(Cl)cc2)sc1=S
InChIInChI=1S/C11H10ClN3OS2/c1-2-15-10(16)9(18-11(15)17)14-13-8-5-3-7(12)4-6-8/h3-6,16H,2H2,1H3/b14-13+
InChIKeyPBFSWJBKWDZDCV-BUHFOSPRSA-N
XLogP5.07
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.81
LogP ≤ 55.07
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 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione (CID 135672436) is 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione is CCn1c(O)c(/N=N/c2ccc(Cl)cc2)sc1=S.
What is the InChIKey of 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is PBFSWJBKWDZDCV-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H10ClN3OS2/c1-2-15-10(16)9(18-11(15)17)14-13-8-5-3-7(12)4-6-8/h3-6,16H,2H2,1H3/b14-13+.
What are the key properties of 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione?
5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 299.81 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 135672436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).