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

C11H9Br2N3OS — CID 2791064

IUPAC2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C11H9Br2N3OS/c1-6-5-18-11(15-6)16-14-4-7-2-8(12)3-9(13)10(7)17/h2-5,17H,1H3,(H,15,16)
InChIKeyFQHWOCATHJGPPA-UHFFFAOYSA-N
MW391.09 g/mol
LogP4.13
Rot. Bonds3

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

2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 2791064) has the molecular formula C11H9Br2N3OS and a molecular weight of 391.09 g/mol. Its IUPAC name is 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID2791064
Molecular FormulaC11H9Br2N3OS
Molecular Weight391.09 g/mol
Exact Mass388.88
IUPAC Name2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2cc(Br)cc(Br)c2O)n1
InChIInChI=1S/C11H9Br2N3OS/c1-6-5-18-11(15-6)16-14-4-7-2-8(12)3-9(13)10(7)17/h2-5,17H,1H3,(H,15,16)
InChIKeyFQHWOCATHJGPPA-UHFFFAOYSA-N
XLogP4.13
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 54.13
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'}

Analyze 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-(trifluoromethyl)phenol
CID 168619541
2-bromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(trifluoromethyl)phenol
CID 168619700
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616851
2-(chloromethyl)-4-methyl-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168619492
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
4-iodo-3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168618025
N-[5-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135821997
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135685050

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 2791064) is 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Cc1csc(NN=Cc2cc(Br)cc(Br)c2O)n1.
What is the InChIKey of 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is FQHWOCATHJGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3OS/c1-6-5-18-11(15-6)16-14-4-7-2-8(12)3-9(13)10(7)17/h2-5,17H,1H3,(H,15,16).
What are the key properties of 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 391.09 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2791064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).