ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate

C14H14F2N2O2S — CID 103587768

IUPACethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H14F2N2O2S/c1-3-20-13(19)5-9-7-21-14(17-9)18-12-6-10(15)8(2)4-11(12)16/h4,6-7H,3,5H2,1-2H3,(H,17,18)
InChIKeyRSNZTJNCINMXQV-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.58
Rot. Bonds5

About ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 103587768) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID103587768
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Nameethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H14F2N2O2S/c1-3-20-13(19)5-9-7-21-14(17-9)18-12-6-10(15)8(2)4-11(12)16/h4,6-7H,3,5H2,1-2H3,(H,17,18)
InChIKeyRSNZTJNCINMXQV-UHFFFAOYSA-N
XLogP3.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
CID 106760974
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate (CID 103587768) is ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2cc(F)c(C)cc2F)n1.
What is the InChIKey of ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is RSNZTJNCINMXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-3-20-13(19)5-9-7-21-14(17-9)18-12-6-10(15)8(2)4-11(12)16/h4,6-7H,3,5H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 312.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 103587768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).