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

C16H19NO3S — CID 103485447

IUPACethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C16H19NO3S/c1-3-20-16(18)8-7-13-11-21-15(17-13)10-12-5-4-6-14(9-12)19-2/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeySTEOBUQEBHUJMS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.24
Rot. Bonds7

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

ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate (PubChem CID 103485447) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
PubChem CID103485447
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C16H19NO3S/c1-3-20-16(18)8-7-13-11-21-15(17-13)10-12-5-4-6-14(9-12)19-2/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeySTEOBUQEBHUJMS-UHFFFAOYSA-N
XLogP3.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
CID 103486018
ethyl 3-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 103485505
ethyl 3-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485381
1-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64544006
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
ethyl 3-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]propanoate
CID 103485341
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
ethyl 3-[2-[(3-chlorophenyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103487308
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089202
methyl 3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039673

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate (CID 103485447) is ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(Cc2cccc(OC)c2)n1.
What is the InChIKey of ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate?
The InChIKey is STEOBUQEBHUJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-20-16(18)8-7-13-11-21-15(17-13)10-12-5-4-6-14(9-12)19-2/h4-6,9,11H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate has a molecular weight of 305.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).