ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C17H18N2O6S — CID 28913234

IUPACethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(C=O)cc2OC)n1
InChIInChI=1S/C17H18N2O6S/c1-3-24-16(22)7-12-10-26-17(18-12)19-15(21)9-25-13-5-4-11(8-20)6-14(13)23-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19,21)
InChIKeyDVNVHDKUDYUEBW-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.09
Rot. Bonds9

About ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 28913234) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID28913234
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Nameethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(C=O)cc2OC)n1
InChIInChI=1S/C17H18N2O6S/c1-3-24-16(22)7-12-10-26-17(18-12)19-15(21)9-25-13-5-4-11(8-20)6-14(13)23-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19,21)
InChIKeyDVNVHDKUDYUEBW-UHFFFAOYSA-N
XLogP2.09
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
ethyl 2-[2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2204235
ethyl 2-[2-[2-[[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624723
ethyl 2-[2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 5046142
ethyl 2-[2-[[2-(4-bromo-2,3,5-trimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3368386
methyl 4-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethoxy]-3-nitrobenzoate
CID 55490384
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
ethyl 2-[2-[2-[[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624713
ethyl 2-[2-[2-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624413
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144
methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986380
ethyl 2-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 1083515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 28913234) is ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccc(C=O)cc2OC)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DVNVHDKUDYUEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-3-24-16(22)7-12-10-26-17(18-12)19-15(21)9-25-13-5-4-11(8-20)6-14(13)23-2/h4-6,8,10H,3,7,9H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 378.41 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 28913234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).