ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate

C15H18N2O3S — CID 103486018

IUPACethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H18N2O3S/c1-3-20-14(18)8-7-12-10-21-15(17-12)16-11-5-4-6-13(9-11)19-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyCCFXBAFOYHXGDQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.39
Rot. Bonds7

About ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate (PubChem CID 103486018) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
PubChem CID103486018
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H18N2O3S/c1-3-20-14(18)8-7-12-10-21-15(17-12)16-11-5-4-6-13(9-11)19-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyCCFXBAFOYHXGDQ-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 3-[2-(3,5-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 103486013
ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485447
ethyl 3-[2-(1H-pyrazol-4-ylamino)-1,3-thiazol-4-yl]propanoate
CID 103486266
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
ethyl 3-[2-(3-chloro-2-fluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 103486036
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 82859828
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
methyl 3-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate (CID 103486018) is ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(Nc2cccc(OC)c2)n1.
What is the InChIKey of ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is CCFXBAFOYHXGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-14(18)8-7-12-10-21-15(17-12)16-11-5-4-6-13(9-11)19-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 306.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103486018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).