ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate

C12H10F2N2O2S — CID 112724637

IUPACethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H10F2N2O2S/c1-2-18-11(17)10-6-19-12(16-10)15-9-4-3-7(13)5-8(9)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyABMPXTOTTVDJOK-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.34
Rot. Bonds4

About ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate (PubChem CID 112724637) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
PubChem CID112724637
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Nameethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H10F2N2O2S/c1-2-18-11(17)10-6-19-12(16-10)15-9-4-3-7(13)5-8(9)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyABMPXTOTTVDJOK-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567882
ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 78980179
ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
CID 51205234
ethyl 4-[(2,4-difluorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697649
methyl 2-(4-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 113307015
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol
CID 123550387
ethyl 2-(3-chloro-5-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107371000
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80568492
ethyl 2-(4-cyano-2-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 104850151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate (CID 112724637) is ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is ABMPXTOTTVDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-2-18-11(17)10-6-19-12(16-10)15-9-4-3-7(13)5-8(9)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 112724637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).