4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine

C15H10ClFN4S — CID 135818612

IUPAC4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)c(/N=N/c2ccccc2)s1
InChIInChI=1S/C15H10ClFN4S/c16-12-8-9(17)6-7-11(12)13-14(22-15(18)19-13)21-20-10-4-2-1-3-5-10/h1-8H,(H2,18,19)/b21-20+
InChIKeySXIYIBBMUXOWAJ-QZQOTICOSA-N
MW332.79 g/mol
LogP5.60
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine

4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine (PubChem CID 135818612) has the molecular formula C15H10ClFN4S and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine
PubChem CID135818612
Molecular FormulaC15H10ClFN4S
Molecular Weight332.79 g/mol
Exact Mass332.03
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)c(/N=N/c2ccccc2)s1
InChIInChI=1S/C15H10ClFN4S/c16-12-8-9(17)6-7-11(12)13-14(22-15(18)19-13)21-20-10-4-2-1-3-5-10/h1-8H,(H2,18,19)/b21-20+
InChIKeySXIYIBBMUXOWAJ-QZQOTICOSA-N
XLogP5.60
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.60
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-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine (CID 135818612) is 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine is Nc1nc(-c2ccc(F)cc2Cl)c(/N=N/c2ccccc2)s1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine?
The InChIKey is SXIYIBBMUXOWAJ-QZQOTICOSA-N. The full InChI is InChI=1S/C15H10ClFN4S/c16-12-8-9(17)6-7-11(12)13-14(22-15(18)19-13)21-20-10-4-2-1-3-5-10/h1-8H,(H2,18,19)/b21-20+.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine?
4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine has a molecular weight of 332.79 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-5-phenyldiazenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 135818612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).