2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide

C15H19N3O2S3 — CID 54339906

IUPAC2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
SMILESCc1ccc(S(=O)(=O)C/C(N)=N/CCSCc2nccs2)cc1
InChIInChI=1S/C15H19N3O2S3/c1-12-2-4-13(5-3-12)23(19,20)11-14(16)17-6-8-21-10-15-18-7-9-22-15/h2-5,7,9H,6,8,10-11H2,1H3,(H2,16,17)
InChIKeyTYEODVPWPKRANP-UHFFFAOYSA-N
MW369.54 g/mol
LogP2.52
Rot. Bonds8

About 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide

2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide (PubChem CID 54339906) has the molecular formula C15H19N3O2S3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
PubChem CID54339906
Molecular FormulaC15H19N3O2S3
Molecular Weight369.54 g/mol
Exact Mass369.06
IUPAC Name2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
SMILESCc1ccc(S(=O)(=O)C/C(N)=N/CCSCc2nccs2)cc1
InChIInChI=1S/C15H19N3O2S3/c1-12-2-4-13(5-3-12)23(19,20)11-14(16)17-6-8-21-10-15-18-7-9-22-15/h2-5,7,9H,6,8,10-11H2,1H3,(H2,16,17)
InChIKeyTYEODVPWPKRANP-UHFFFAOYSA-N
XLogP2.52
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide 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

2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 20567731
2-(3,4-dichlorophenyl)sulfonyl-N-prop-2-ynyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
CID 135970844
N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide
CID 2794668
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]ethyl]-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfonylethanimidamide
CID 54046765
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
carbamothioic S-acid;methane;2-(1,3-thiazol-2-ylmethylsulfanyl)ethylcarbamothioic S-acid
CID 88679811
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493
2-(4-chlorophenyl)sulfonyl-1-N'-prop-2-ynyl-1-N-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine
CID 88787457
1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 110747663
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58217503
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
bis[2-(4-methylphenyl)sulfonylethyl] oxalate
CID 58807069

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide (CID 54339906) is 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide is Cc1ccc(S(=O)(=O)C/C(N)=N/CCSCc2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide?
The InChIKey is TYEODVPWPKRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S3/c1-12-2-4-13(5-3-12)23(19,20)11-14(16)17-6-8-21-10-15-18-7-9-22-15/h2-5,7,9H,6,8,10-11H2,1H3,(H2,16,17).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide?
2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide has a molecular weight of 369.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide is sourced from PubChem (CID 54339906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).