3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione

C18H19N5O2S — CID 3836175

IUPAC3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
SMILESCCOc1ccc(-c2n[nH]c(=S)n2NN=Cc2ccccc2OC)cc1
InChIInChI=1S/C18H19N5O2S/c1-3-25-15-10-8-13(9-11-15)17-20-21-18(26)23(17)22-19-12-14-6-4-5-7-16(14)24-2/h4-12,22H,3H2,1-2H3,(H,21,26)
InChIKeyVRQHSYGFVRKPEM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.59
Rot. Bonds7

About 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione

3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione (PubChem CID 3836175) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
PubChem CID3836175
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
SMILESCCOc1ccc(-c2n[nH]c(=S)n2NN=Cc2ccccc2OC)cc1
InChIInChI=1S/C18H19N5O2S/c1-3-25-15-10-8-13(9-11-15)17-20-21-18(26)23(17)22-19-12-14-6-4-5-7-16(14)24-2/h4-12,22H,3H2,1-2H3,(H,21,26)
InChIKeyVRQHSYGFVRKPEM-UHFFFAOYSA-N
XLogP3.59
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione 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

3-(4-ethoxyphenyl)-4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
CID 135613283
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 3723066
3-(4-ethoxyphenyl)-4-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-1,2,4-triazole-5-thione
CID 136736946
4-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5005315
3-(4-ethoxyphenyl)-4-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
CID 3739954
3-(3-ethoxyphenyl)-4-[(E)-(2-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6879441
4-[(E)-(2-chlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 6878978
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
3-(4-ethoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 740361
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693
4-[(2-methoxyphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 929800
4-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 1416204

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione (CID 3836175) is 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione is CCOc1ccc(-c2n[nH]c(=S)n2NN=Cc2ccccc2OC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione?
The InChIKey is VRQHSYGFVRKPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-3-25-15-10-8-13(9-11-15)17-20-21-18(26)23(17)22-19-12-14-6-4-5-7-16(14)24-2/h4-12,22H,3H2,1-2H3,(H,21,26).
What are the key properties of 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione?
3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione has a molecular weight of 369.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 3836175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).