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

C14H16N2O3S — CID 8015374

IUPACethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(OC)cc2)nc1C
InChIInChI=1S/C14H16N2O3S/c1-4-19-13(17)12-9(2)15-14(20-12)16-10-5-7-11(18-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyZFIMRNUTFJMLAF-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.38
Rot. Bonds5

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

ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 8015374) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID8015374
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(OC)cc2)nc1C
InChIInChI=1S/C14H16N2O3S/c1-4-19-13(17)12-9(2)15-14(20-12)16-10-5-7-11(18-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyZFIMRNUTFJMLAF-UHFFFAOYSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate (CID 8015374) is ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc(OC)cc2)nc1C.
What is the InChIKey of ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZFIMRNUTFJMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-19-13(17)12-9(2)15-14(20-12)16-10-5-7-11(18-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8015374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).