2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C16H9Br2Cl2N3OS — CID 135887074

IUPAC2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H9Br2Cl2N3OS/c17-10-3-9(15(24)11(18)5-10)6-21-23-16-22-14(7-25-16)8-1-2-12(19)13(20)4-8/h1-7,24H,(H,22,23)/b21-6+
InChIKeyIJZOGGRPJDTPNZ-AERZKKPOSA-N
MW522.05 g/mol
LogP6.79
Rot. Bonds4

About 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135887074) has the molecular formula C16H9Br2Cl2N3OS and a molecular weight of 522.05 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135887074
Molecular FormulaC16H9Br2Cl2N3OS
Molecular Weight522.05 g/mol
Exact Mass518.82
IUPAC Name2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H9Br2Cl2N3OS/c17-10-3-9(15(24)11(18)5-10)6-21-23-16-22-14(7-25-16)8-1-2-12(19)13(20)4-8/h1-7,24H,(H,22,23)/b21-6+
InChIKeyIJZOGGRPJDTPNZ-AERZKKPOSA-N
XLogP6.79
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.05
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135887074) is 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is IJZOGGRPJDTPNZ-AERZKKPOSA-N. The full InChI is InChI=1S/C16H9Br2Cl2N3OS/c17-10-3-9(15(24)11(18)5-10)6-21-23-16-22-14(7-25-16)8-1-2-12(19)13(20)4-8/h1-7,24H,(H,22,23)/b21-6+.
What are the key properties of 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 522.05 g/mol, XLogP of 6.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135887074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).