2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide

C16H15F3N4O4S3 — CID 58650769

IUPAC2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide
SMILESCN1/C(=C2/SC(=S)N(CC(=O)NS(C)(=O)=O)C2=O)N(C)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H15F3N4O4S3/c1-21-9-5-4-8(16(17,18)19)6-10(9)22(2)13(21)12-14(25)23(15(28)29-12)7-11(24)20-30(3,26)27/h4-6H,7H2,1-3H3,(H,20,24)/b13-12-
InChIKeyFROPQYVGKWKYAH-SEYXRHQNSA-N
MW480.52 g/mol
LogP1.70
Rot. Bonds3

About 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide

2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide (PubChem CID 58650769) has the molecular formula C16H15F3N4O4S3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide
PubChem CID58650769
Molecular FormulaC16H15F3N4O4S3
Molecular Weight480.52 g/mol
Exact Mass480.02
IUPAC Name2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide
SMILESCN1/C(=C2/SC(=S)N(CC(=O)NS(C)(=O)=O)C2=O)N(C)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H15F3N4O4S3/c1-21-9-5-4-8(16(17,18)19)6-10(9)22(2)13(21)12-14(25)23(15(28)29-12)7-11(24)20-30(3,26)27/h4-6H,7H2,1-3H3,(H,20,24)/b13-12-
InChIKeyFROPQYVGKWKYAH-SEYXRHQNSA-N
XLogP1.70
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide 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-[(5E)-4-oxo-5-[4-oxo-3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 6184155
2-[2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1390004
2-[2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3805052
4-[[2-[5-[3-[2-(4-carboxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 78298711
2-[(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide
CID 86659618
2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3037175
2-[5-[3-[2-(4-hydroxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 78298712
(5Z)-3-ethyl-5-[3-methyl-5-(trifluoromethylsulfonyl)-1,3-benzothiazol-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3134991
2-[(5Z)-5-(3-methyl-1,3-benzoxazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 18600883
2-[3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1419516
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16629154
methyl 3-[3,7-bis(trifluoromethyl)phenothiazin-10-yl]propanoate
CID 118595853

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide (CID 58650769) is 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide is CN1/C(=C2/SC(=S)N(CC(=O)NS(C)(=O)=O)C2=O)N(C)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide?
The InChIKey is FROPQYVGKWKYAH-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H15F3N4O4S3/c1-21-9-5-4-8(16(17,18)19)6-10(9)22(2)13(21)12-14(25)23(15(28)29-12)7-11(24)20-30(3,26)27/h4-6H,7H2,1-3H3,(H,20,24)/b13-12-.
What are the key properties of 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide?
2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide has a molecular weight of 480.52 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[1,3-dimethyl-5-(trifluoromethyl)benzimidazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 58650769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).