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

C14H15FN2O2S — CID 79364340

IUPACethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-4-19-14(18)12-9(3)17-20-13(12)16-11-6-8(2)5-10(15)7-11/h5-7,16H,4H2,1-3H3
InChIKeyLWGDTDCJOGIZSQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.82
Rot. Bonds4

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

ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79364340) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79364340
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Nameethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1cc(C)cc(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-4-19-14(18)12-9(3)17-20-13(12)16-11-6-8(2)5-10(15)7-11/h5-7,16H,4H2,1-3H3
InChIKeyLWGDTDCJOGIZSQ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate (CID 79364340) is ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1Nc1cc(C)cc(F)c1.
What is the InChIKey of ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is LWGDTDCJOGIZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-4-19-14(18)12-9(3)17-20-13(12)16-11-6-8(2)5-10(15)7-11/h5-7,16H,4H2,1-3H3.
What are the key properties of ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-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 5-(3-fluoro-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79364340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).