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

C14H15FN2O2S — CID 25495325

IUPACethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C
InChIInChI=1S/C14H15FN2O2S/c1-4-19-13(18)12-9(3)16-14(20-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyVHAQLNSHWIIJOQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.82
Rot. Bonds4

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

ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 25495325) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID25495325
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C
InChIInChI=1S/C14H15FN2O2S/c1-4-19-13(18)12-9(3)16-14(20-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyVHAQLNSHWIIJOQ-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-[(4-bromophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 947453
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
Ethyl 4-methyl-2-[(3-phenylpropanoyl)amino]-1,3-thiazole-5-carboxylate
CID 2072961
Ethyl 2-((3-chlorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 2731542
Ethyl 2-{[(4-fluorophenyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3921576
1-[4-Methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 5333115
2-[N'-(4-Dimethylamino-benzylidene)-hydrazino]-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 9582640
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 896898
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate (CID 25495325) is ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1C.
What is the InChIKey of ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VHAQLNSHWIIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-4-19-13(18)12-9(3)16-14(20-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-4-methylanilino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 25495325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).