2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C18H19F3N2O3S2 — CID 2569199

IUPAC2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)C(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C18H19F3N2O3S2/c1-17(2,3)13(24)7-15-23(8-14(25)22-10-18(19,20)21)16(26)12(28-15)6-11-4-5-27-9-11/h4-7,9H,8,10H2,1-3H3,(H,22,25)/b12-6-,15-7-
InChIKeyXTMCJWRLLQFKRG-AMKJEVLBSA-N
MW432.49 g/mol
LogP1.87
Rot. Bonds5

About 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2569199) has the molecular formula C18H19F3N2O3S2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2569199
Molecular FormulaC18H19F3N2O3S2
Molecular Weight432.49 g/mol
Exact Mass432.08
IUPAC Name2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)C(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C18H19F3N2O3S2/c1-17(2,3)13(24)7-15-23(8-14(25)22-10-18(19,20)21)16(26)12(28-15)6-11-4-5-27-9-11/h4-7,9H,8,10H2,1-3H3,(H,22,25)/b12-6-,15-7-
InChIKeyXTMCJWRLLQFKRG-AMKJEVLBSA-N
XLogP1.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2569199) is 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccsc2)c(=O)n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XTMCJWRLLQFKRG-AMKJEVLBSA-N. The full InChI is InChI=1S/C18H19F3N2O3S2/c1-17(2,3)13(24)7-15-23(8-14(25)22-10-18(19,20)21)16(26)12(28-15)6-11-4-5-27-9-11/h4-7,9H,8,10H2,1-3H3,(H,22,25)/b12-6-,15-7-.
What are the key properties of 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 432.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2569199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).