2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol

C17H13Cl2N3O2S — CID 135822187

IUPAC2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1O
InChIInChI=1S/C17H13Cl2N3O2S/c1-24-15-4-2-3-10(16(15)23)8-20-22-17-21-14(9-25-17)12-6-5-11(18)7-13(12)19/h2-9,23H,1H3,(H,21,22)/b20-8+
InChIKeyJJUHCBWZOFHMGU-DNTJNYDQSA-N
MW394.28 g/mol
LogP5.28
Rot. Bonds5

About 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135822187) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135822187
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1O
InChIInChI=1S/C17H13Cl2N3O2S/c1-24-15-4-2-3-10(16(15)23)8-20-22-17-21-14(9-25-17)12-6-5-11(18)7-13(12)19/h2-9,23H,1H3,(H,21,22)/b20-8+
InChIKeyJJUHCBWZOFHMGU-DNTJNYDQSA-N
XLogP5.28
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
4-(2,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3816457
5-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 110339448
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
4-(2,4-dichlorophenyl)-N-[(2-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4552872
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138875
4-(2,4-dichlorophenyl)-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 155923376
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
4-(2,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazol-2-amine
CID 4140219
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110532002

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol (CID 135822187) is 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1O.
What is the InChIKey of 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is JJUHCBWZOFHMGU-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c1-24-15-4-2-3-10(16(15)23)8-20-22-17-21-14(9-25-17)12-6-5-11(18)7-13(12)19/h2-9,23H,1H3,(H,21,22)/b20-8+.
What are the key properties of 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 394.28 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135822187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).