[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea

C12H15N7O2S2 — CID 162671556

IUPAC[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C12H15N7O2S2/c1-7(15-17-12(13)22)11-8(2)19(18-16-11)9-3-5-10(6-4-9)23(14,20)21/h3-6H,1-2H3,(H3,13,17,22)(H2,14,20,21)/b15-7+
InChIKeyZSNUMVKUUMGBTC-VIZOYTHASA-N
MW353.43 g/mol
LogP-0.22
Rot. Bonds4

About [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea

[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea (PubChem CID 162671556) has the molecular formula C12H15N7O2S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea
PubChem CID162671556
Molecular FormulaC12H15N7O2S2
Molecular Weight353.43 g/mol
Exact Mass353.07
IUPAC Name[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C12H15N7O2S2/c1-7(15-17-12(13)22)11-8(2)19(18-16-11)9-3-5-10(6-4-9)23(14,20)21/h3-6H,1-2H3,(H3,13,17,22)(H2,14,20,21)/b15-7+
InChIKeyZSNUMVKUUMGBTC-VIZOYTHASA-N
XLogP-0.22
TPSA141.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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 [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea 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-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
4-[5-Methyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)triazol-1-yl]benzenesulfonamide
CID 155513169
[(E)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]ethylideneamino]thiourea
CID 162670199
[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]urea
CID 162672405
1-(Diaminomethylideneamino)-3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonylurea
CID 12530668
N-(Diaminomethylene)-4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
CID 12234132
4-(4-Amino-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenesulfonamide
CID 64325061
4-(4-Amino-3,5-diethylpyrazol-1-yl)-3-fluorobenzenesulfonamide
CID 82692799
4-(3,5-Dimethyl-4-nitroso-1h-pyrazol-1-yl)benzenesulfonamide
CID 230578
4-(3-Ethyl-5-methylpyrazol-1-yl)benzenesulfonamide
CID 139907334
3,5-Dimethyl-1-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 154091858
Benzenesulfonic acid, 4-(3,5-dimethyl-1H-pyrazol-1-yl)-, hydrazide
CID 12292094

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea?
The IUPAC name of [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea (CID 162671556) is [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea?
The InChIKey is ZSNUMVKUUMGBTC-VIZOYTHASA-N. The full InChI is InChI=1S/C12H15N7O2S2/c1-7(15-17-12(13)22)11-8(2)19(18-16-11)9-3-5-10(6-4-9)23(14,20)21/h3-6H,1-2H3,(H3,13,17,22)(H2,14,20,21)/b15-7+.
What are the key properties of [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea?
[(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea has a molecular weight of 353.43 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[5-methyl-1-(4-sulfamoylphenyl)triazol-4-yl]ethylideneamino]thiourea is sourced from PubChem (CID 162671556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).