methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate

C24H21N5O3S — CID 6506646

IUPACmethyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(=N/Nc1ccccc1OC)Sc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H21N5O3S/c1-31-20-16-10-9-15-19(20)25-27-22(23(30)32-2)33-24-28-26-21(17-11-5-3-6-12-17)29(24)18-13-7-4-8-14-18/h3-16,25H,1-2H3/b27-22-
InChIKeyDJZAMTPLXYEQBE-QYQHSDTDSA-N
MW459.53 g/mol
LogP4.63
Rot. Bonds6

About methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate

methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate (PubChem CID 6506646) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate
PubChem CID6506646
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Namemethyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(=N/Nc1ccccc1OC)Sc1nnc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H21N5O3S/c1-31-20-16-10-9-15-19(20)25-27-22(23(30)32-2)33-24-28-26-21(17-11-5-3-6-12-17)29(24)18-13-7-4-8-14-18/h3-16,25H,1-2H3/b27-22-
InChIKeyDJZAMTPLXYEQBE-QYQHSDTDSA-N
XLogP4.63
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6506073
ethyl (2E)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(phenylhydrazinylidene)acetate
CID 6375442
ethyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(3-methoxyphenyl)hydrazinylidene]acetate
CID 6506644
ethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 3581066
2-[[5-(4-acetamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 46269947
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 4527537
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6886550
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3702082
N-(2-methoxyphenyl)-2-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1300576
2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3152918
N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 28921955
ethyl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6506707

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate (CID 6506646) is methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate is COC(=O)/C(=N/Nc1ccccc1OC)Sc1nnc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate?
The InChIKey is DJZAMTPLXYEQBE-QYQHSDTDSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-31-20-16-10-9-15-19(20)25-27-22(23(30)32-2)33-24-28-26-21(17-11-5-3-6-12-17)29(24)18-13-7-4-8-14-18/h3-16,25H,1-2H3/b27-22-.
What are the key properties of methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate?
methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate has a molecular weight of 459.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-methoxyphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 6506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).