4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol

C16H10Cl2N4O3S — CID 135777358

IUPAC4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O
InChIInChI=1S/C16H10Cl2N4O3S/c17-10-2-3-11(12(18)6-10)13-8-26-16(20-13)21-19-7-9-1-4-15(23)14(5-9)22(24)25/h1-8,23H,(H,20,21)/b19-7+
InChIKeyCZJZKZYKRBNHAF-FBCYGCLPSA-N
MW409.25 g/mol
LogP5.18
Rot. Bonds5

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

4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol (PubChem CID 135777358) has the molecular formula C16H10Cl2N4O3S and a molecular weight of 409.25 g/mol. Its IUPAC name is 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
PubChem CID135777358
Molecular FormulaC16H10Cl2N4O3S
Molecular Weight409.25 g/mol
Exact Mass407.99
IUPAC Name4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O
InChIInChI=1S/C16H10Cl2N4O3S/c17-10-2-3-11(12(18)6-10)13-8-26-16(20-13)21-19-7-9-1-4-15(23)14(5-9)22(24)25/h1-8,23H,(H,20,21)/b19-7+
InChIKeyCZJZKZYKRBNHAF-FBCYGCLPSA-N
XLogP5.18
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.25
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol
CID 136732948
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
5-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 110339448
1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135648455
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138875
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135714039
4-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135608314
2-nitro-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135570869
4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 4873244
4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 124541077
4-(2,4-dimethoxyphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110531573

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol?
The IUPAC name of 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol (CID 135777358) is 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol?
The canonical SMILES for 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol is O=[N+]([O-])c1cc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O.
What is the InChIKey of 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol?
The InChIKey is CZJZKZYKRBNHAF-FBCYGCLPSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3S/c17-10-2-3-11(12(18)6-10)13-8-26-16(20-13)21-19-7-9-1-4-15(23)14(5-9)22(24)25/h1-8,23H,(H,20,21)/b19-7+.
What are the key properties of 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol?
4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol has a molecular weight of 409.25 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-nitrophenol is sourced from PubChem (CID 135777358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).