4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol

C18H16ClN3O3S — CID 136781775

IUPAC4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1O
InChIInChI=1S/C18H16ClN3O3S/c1-24-15-7-11(8-16(25-2)17(15)23)9-20-22-18-21-14(10-26-18)12-3-5-13(19)6-4-12/h3-10,23H,1-2H3,(H,21,22)/b20-9-
InChIKeyXWDGBDJZJFSMKD-UKWGHVSLSA-N
MW389.86 g/mol
LogP4.63
Rot. Bonds6

About 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 136781775) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID136781775
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1O
InChIInChI=1S/C18H16ClN3O3S/c1-24-15-7-11(8-16(25-2)17(15)23)9-20-22-18-21-14(10-26-18)12-3-5-13(19)6-4-12/h3-10,23H,1-2H3,(H,21,22)/b20-9-
InChIKeyXWDGBDJZJFSMKD-UKWGHVSLSA-N
XLogP4.63
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.63
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 136781753
4-(4-chlorophenyl)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5450131
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531994
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881
4-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 73450398
2,6-dimethoxy-4-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162656705
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531201
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
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
4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 4873244
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 136781775) is 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1O.
What is the InChIKey of 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is XWDGBDJZJFSMKD-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-24-15-7-11(8-16(25-2)17(15)23)9-20-22-18-21-14(10-26-18)12-3-5-13(19)6-4-12/h3-10,23H,1-2H3,(H,21,22)/b20-9-.
What are the key properties of 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 389.86 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 136781775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).