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

C16H10Br2ClN3OS — CID 135710727

IUPAC2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H10Br2ClN3OS/c17-11-5-10(15(23)13(18)6-11)7-20-22-16-21-14(8-24-16)9-1-3-12(19)4-2-9/h1-8,23H,(H,21,22)/b20-7+
InChIKeyMJSBGHQZRCOVHP-IFRROFPPSA-N
MW487.60 g/mol
LogP6.14
Rot. Bonds4

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

2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135710727) has the molecular formula C16H10Br2ClN3OS and a molecular weight of 487.60 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135710727
Molecular FormulaC16H10Br2ClN3OS
Molecular Weight487.60 g/mol
Exact Mass484.86
IUPAC Name2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H10Br2ClN3OS/c17-11-5-10(15(23)13(18)6-11)7-20-22-16-21-14(8-24-16)9-1-3-12(19)4-2-9/h1-8,23H,(H,21,22)/b20-7+
InChIKeyMJSBGHQZRCOVHP-IFRROFPPSA-N
XLogP6.14
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.14
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-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135710727) is 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is MJSBGHQZRCOVHP-IFRROFPPSA-N. The full InChI is InChI=1S/C16H10Br2ClN3OS/c17-11-5-10(15(23)13(18)6-11)7-20-22-16-21-14(8-24-16)9-1-3-12(19)4-2-9/h1-8,23H,(H,21,22)/b20-7+.
What are the key properties of 2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 487.60 g/mol, XLogP of 6.14, 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-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135710727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).