[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate

C24H19N3O3S — CID 42421360

IUPAC[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C24H19N3O3S/c1-29-22-14-17(12-13-21(22)30-23(28)19-10-6-3-7-11-19)15-25-27-24-26-20(16-31-24)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27)
InChIKeyKSRXJUHVZBQQPN-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.48
Rot. Bonds7

About [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate

[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 42421360) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID42421360
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C24H19N3O3S/c1-29-22-14-17(12-13-21(22)30-23(28)19-10-6-3-7-11-19)15-25-27-24-26-20(16-31-24)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27)
InChIKeyKSRXJUHVZBQQPN-UHFFFAOYSA-N
XLogP5.48
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 168578714
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
[2-ethoxy-4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 126204331
[4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3892519
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 73384910
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178
2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 168579493
[2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 168578713
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881
N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168579384

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate (CID 42421360) is [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate is COc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is KSRXJUHVZBQQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-29-22-14-17(12-13-21(22)30-23(28)19-10-6-3-7-11-19)15-25-27-24-26-20(16-31-24)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27).
What are the key properties of [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate?
[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 429.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 42421360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).