ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate

C13H13FN2O2S — CID 78980179

IUPACethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cc(C)ccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-3-18-12(17)11-7-19-13(16-11)15-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyFPMQIZISBNHXIA-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 78980179) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID78980179
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Nameethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cc(C)ccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-3-18-12(17)11-7-19-13(16-11)15-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyFPMQIZISBNHXIA-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423315
ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
ethyl 2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567882
ethyl 2-(3-chloro-5-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107371000
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-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51294869
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
methyl 2-(4-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 113307015

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate (CID 78980179) is ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cc(C)ccc2F)n1.
What is the InChIKey of ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is FPMQIZISBNHXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-3-18-12(17)11-7-19-13(16-11)15-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78980179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).