[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

C19H23N6O2S+ — CID 9323148

IUPAC[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)Cn2nnn(-c3ccc(OC)cc3)c2=S)cc1
InChIInChI=1S/C19H22N6O2S/c1-20-18(26)15-6-4-14(5-7-15)12-23(2)13-24-19(28)25(22-21-24)16-8-10-17(27-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,20,26)/p+1
InChIKeyLDFAYCDSQXXIDT-UHFFFAOYSA-O
MW399.50 g/mol
LogP0.84
Rot. Bonds7

About [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (PubChem CID 9323148) has the molecular formula C19H23N6O2S+ and a molecular weight of 399.50 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
PubChem CID9323148
Molecular FormulaC19H23N6O2S+
Molecular Weight399.50 g/mol
Exact Mass399.16
IUPAC Name[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)Cn2nnn(-c3ccc(OC)cc3)c2=S)cc1
InChIInChI=1S/C19H22N6O2S/c1-20-18(26)15-6-4-14(5-7-15)12-23(2)13-24-19(28)25(22-21-24)16-8-10-17(27-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,20,26)/p+1
InChIKeyLDFAYCDSQXXIDT-UHFFFAOYSA-O
XLogP0.84
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium 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

(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 7911362
[4-(2,4-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9323255
(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9323567
[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9323985
(3,4-dimethoxyphenyl)methyl-[[4-(3,4-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 9244586
1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione
CID 9281553
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003158
(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123291
methyl-(3-methylbut-2-enyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124553
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003149
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl]methyl]azanium
CID 9323851
(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
CID 7911386

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (CID 9323148) is [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is CNC(=O)c1ccc(C[NH+](C)Cn2nnn(-c3ccc(OC)cc3)c2=S)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is LDFAYCDSQXXIDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N6O2S/c1-20-18(26)15-6-4-14(5-7-15)12-23(2)13-24-19(28)25(22-21-24)16-8-10-17(27-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,20,26)/p+1.
What are the key properties of [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 399.50 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 9323148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).