ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate

C15H18N2O3S — CID 102765940

IUPACethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)c1scnc1C
InChIInChI=1S/C15H18N2O3S/c1-4-20-15(18)13(14-10(2)16-9-21-14)17-11-5-7-12(19-3)8-6-11/h5-9,13,17H,4H2,1-3H3
InChIKeyHJIYIMKYMLZBCC-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate

ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 102765940) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
PubChem CID102765940
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(OC)cc1)c1scnc1C
InChIInChI=1S/C15H18N2O3S/c1-4-20-15(18)13(14-10(2)16-9-21-14)17-11-5-7-12(19-3)8-6-11/h5-9,13,17H,4H2,1-3H3
InChIKeyHJIYIMKYMLZBCC-UHFFFAOYSA-N
XLogP3.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
ethyl 2-(3-bromo-4-chloroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766129
ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766001
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
methyl 2-(3-fluoroanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766012
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl (2S,3R)-2-(4-methoxyanilino)-3-nitrobutanoate
CID 134918536
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate (CID 102765940) is ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate is CCOC(=O)C(Nc1ccc(OC)cc1)c1scnc1C.
What is the InChIKey of ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is HJIYIMKYMLZBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-20-15(18)13(14-10(2)16-9-21-14)17-11-5-7-12(19-3)8-6-11/h5-9,13,17H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate?
ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate has a molecular weight of 306.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 102765940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).