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

C10H7Br2N3OS — CID 135878036

IUPAC2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(/C=N/Nc2nccs2)cc1Br
InChIInChI=1S/C10H7Br2N3OS/c11-7-3-6(4-8(12)9(7)16)5-14-15-10-13-1-2-17-10/h1-5,16H,(H,13,15)/b14-5+
InChIKeyPGAOCQBDTKINOG-LHHJGKSTSA-N
MW377.06 g/mol
LogP3.82
Rot. Bonds3

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

2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135878036) has the molecular formula C10H7Br2N3OS and a molecular weight of 377.06 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
PubChem CID135878036
Molecular FormulaC10H7Br2N3OS
Molecular Weight377.06 g/mol
Exact Mass374.87
IUPAC Name2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(/C=N/Nc2nccs2)cc1Br
InChIInChI=1S/C10H7Br2N3OS/c11-7-3-6(4-8(12)9(7)16)5-14-15-10-13-1-2-17-10/h1-5,16H,(H,13,15)/b14-5+
InChIKeyPGAOCQBDTKINOG-LHHJGKSTSA-N
XLogP3.82
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol (CID 135878036) is 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is Oc1c(Br)cc(/C=N/Nc2nccs2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is PGAOCQBDTKINOG-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H7Br2N3OS/c11-7-3-6(4-8(12)9(7)16)5-14-15-10-13-1-2-17-10/h1-5,16H,(H,13,15)/b14-5+.
What are the key properties of 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol?
2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 377.06 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135878036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).