ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate

C15H13BrN2O4S — CID 101107565

IUPACethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C(\Br)C(=O)Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C15H13BrN2O4S/c1-2-22-11(19)8-10-13(20)18-15(23-10)12(16)14(21)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,20)/b10-8-,15-12-
InChIKeyKCMOYQFIGJFBFG-GDBOMBKFSA-N
MW397.25 g/mol
LogP0.92
Rot. Bonds4

About ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate

ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 101107565) has the molecular formula C15H13BrN2O4S and a molecular weight of 397.25 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
PubChem CID101107565
Molecular FormulaC15H13BrN2O4S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC Nameethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C(\Br)C(=O)Nc2ccccc2)[nH]c1=O
InChIInChI=1S/C15H13BrN2O4S/c1-2-22-11(19)8-10-13(20)18-15(23-10)12(16)14(21)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,20)/b10-8-,15-12-
InChIKeyKCMOYQFIGJFBFG-GDBOMBKFSA-N
XLogP0.92
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate with MolForge

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Related Compounds

ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
methyl (2E)-2-[(2E)-2-[2-(4-methylanilino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 6186973
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
ethyl 4-[(2E)-2-(2-anilino-1-bromo-2-oxoethylidene)hydrazinyl]benzoate
CID 6239554
ethyl 3-anilino-3-(trimethylsilylmethylamino)prop-2-enoate
CID 23254114
ethyl (2Z)-2-[(5Z)-5-[(4-acetamidophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate
CID 9447827
methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3610770
(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide
CID 101265645
ethyl 3-anilino-3-oxopropanoate
CID 3016808
2-[(5Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenyl-2-pyridin-1-ium-1-ylethanimidate
CID 154777894
ethyl 3-anilino-5-phenylpent-2-enoate
CID 174917860
ethyl 3-anilinodec-2-enoate
CID 68860790

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 101107565) is ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C(\Br)C(=O)Nc2ccccc2)[nH]c1=O.
What is the InChIKey of ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is KCMOYQFIGJFBFG-GDBOMBKFSA-N. The full InChI is InChI=1S/C15H13BrN2O4S/c1-2-22-11(19)8-10-13(20)18-15(23-10)12(16)14(21)17-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,20)/b10-8-,15-12-.
What are the key properties of ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 397.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2Z)-2-(2-anilino-1-bromo-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 101107565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).