2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C18H16BrN3OS — CID 136781712

IUPAC2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCc1ccc(-c2csc(N/N=C\c3ccc(O)c(Br)c3)n2)cc1C
InChIInChI=1S/C18H16BrN3OS/c1-11-3-5-14(7-12(11)2)16-10-24-18(21-16)22-20-9-13-4-6-17(23)15(19)8-13/h3-10,23H,1-2H3,(H,21,22)/b20-9-
InChIKeyXSNHOFPONXYLMA-UKWGHVSLSA-N
MW402.32 g/mol
LogP5.34
Rot. Bonds4

About 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 136781712) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID136781712
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESCc1ccc(-c2csc(N/N=C\c3ccc(O)c(Br)c3)n2)cc1C
InChIInChI=1S/C18H16BrN3OS/c1-11-3-5-14(7-12(11)2)16-10-24-18(21-16)22-20-9-13-4-6-17(23)15(19)8-13/h3-10,23H,1-2H3,(H,21,22)/b20-9-
InChIKeyXSNHOFPONXYLMA-UKWGHVSLSA-N
XLogP5.34
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.34
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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Related Compounds

N-[(Z)-(4-bromophenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533321
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
4-(3,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538194
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110532452
4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 4873244
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135608314
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135714039
2-chloro-4-[(Z)-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136781777
4-(3,4-dimethylphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110532766
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110531466
4-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
CID 135473241

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 136781712) is 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Cc1ccc(-c2csc(N/N=C\c3ccc(O)c(Br)c3)n2)cc1C.
What is the InChIKey of 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is XSNHOFPONXYLMA-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-11-3-5-14(7-12(11)2)16-10-24-18(21-16)22-20-9-13-4-6-17(23)15(19)8-13/h3-10,23H,1-2H3,(H,21,22)/b20-9-.
What are the key properties of 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 402.32 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136781712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).