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

C16H12BrN3OS — CID 135413785

IUPAC2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H12BrN3OS/c17-13-7-5-11(6-8-13)14-10-22-16(19-14)20-18-9-12-3-1-2-4-15(12)21/h1-10,21H,(H,19,20)/b18-9+
InChIKeySHTLTXOTOIHRNP-GIJQJNRQSA-N
MW374.26 g/mol
LogP4.72
Rot. Bonds4

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

2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135413785) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135413785
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H12BrN3OS/c17-13-7-5-11(6-8-13)14-10-22-16(19-14)20-18-9-12-3-1-2-4-15(12)21/h1-10,21H,(H,19,20)/b18-9+
InChIKeySHTLTXOTOIHRNP-GIJQJNRQSA-N
XLogP4.72
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.72
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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Related Compounds

2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
4-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877529
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5711373
3-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162655076
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155563852
4-bromo-2-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135501480
2,4-dibromo-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135887074
4-[(E)-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136961372
2-[2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 155542003
2-[2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155543836
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 155555245
(2E)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,2-diphenylethanol
CID 46881085

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135413785) is 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is SHTLTXOTOIHRNP-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-13-7-5-11(6-8-13)14-10-22-16(19-14)20-18-9-12-3-1-2-4-15(12)21/h1-10,21H,(H,19,20)/b18-9+.
What are the key properties of 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 374.26 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135413785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).