4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide

C16H10Cl2N4OS — CID 138377180

IUPAC4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4OS/c17-13-14(22-24-15(13)18)16(23)19-10-6-8-12(9-7-10)21-20-11-4-2-1-3-5-11/h1-9H,(H,19,23)/b21-20+
InChIKeyIWWJCDXSIAADAA-QZQOTICOSA-N
MW377.26 g/mol
LogP6.12
Rot. Bonds4

About 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide (PubChem CID 138377180) has the molecular formula C16H10Cl2N4OS and a molecular weight of 377.26 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide
PubChem CID138377180
Molecular FormulaC16H10Cl2N4OS
Molecular Weight377.26 g/mol
Exact Mass376.00
IUPAC Name4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4OS/c17-13-14(22-24-15(13)18)16(23)19-10-6-8-12(9-7-10)21-20-11-4-2-1-3-5-11/h1-9H,(H,19,23)/b21-20+
InChIKeyIWWJCDXSIAADAA-QZQOTICOSA-N
XLogP6.12
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.26
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide (CID 138377180) is 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is IWWJCDXSIAADAA-QZQOTICOSA-N. The full InChI is InChI=1S/C16H10Cl2N4OS/c17-13-14(22-24-15(13)18)16(23)19-10-6-8-12(9-7-10)21-20-11-4-2-1-3-5-11/h1-9H,(H,19,23)/b21-20+.
What are the key properties of 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-phenyldiazenylphenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 138377180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).