2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C17H11F3N2O3S2 — CID 16632078

IUPAC2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O3S2/c18-17(19,20)10-3-1-4-11(7-10)21-14(23)9-22-15(24)13(27-16(22)25)8-12-5-2-6-26-12/h1-8H,9H2,(H,21,23)/b13-8-
InChIKeyDHYWVKCIDNYOFF-JYRVWZFOSA-N
MW412.41 g/mol
LogP4.44
Rot. Bonds4

About 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16632078) has the molecular formula C17H11F3N2O3S2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID16632078
Molecular FormulaC17H11F3N2O3S2
Molecular Weight412.41 g/mol
Exact Mass412.02
IUPAC Name2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O3S2/c18-17(19,20)10-3-1-4-11(7-10)21-14(23)9-22-15(24)13(27-16(22)25)8-12-5-2-6-26-12/h1-8H,9H2,(H,21,23)/b13-8-
InChIKeyDHYWVKCIDNYOFF-JYRVWZFOSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

6-[(Thiophen-2-ylmethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648056
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216707
(E)-2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1613195
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 2487215
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326464
N-[3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44529887
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9117763
[(1R)-1-[[2-(2-fluoro-N-prop-2-enoylanilino)acetyl]amino]-2-thiophen-3-ylethyl]boronic acid
CID 140880229
3-(2-Thienyl)-N-(3-(trifluoromethyl)phenyl)-2-propenamide
CID 2164078
2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4789291
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 2424168

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 16632078) is 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DHYWVKCIDNYOFF-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H11F3N2O3S2/c18-17(19,20)10-3-1-4-11(7-10)21-14(23)9-22-15(24)13(27-16(22)25)8-12-5-2-6-26-12/h1-8H,9H2,(H,21,23)/b13-8-.
What are the key properties of 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 412.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16632078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).