ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate

C23H23NO6S — CID 58541231

IUPACethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CC(=O)Cc2ccccc2Oc2cccc(OC)c2OC)n1
InChIInChI=1S/C23H23NO6S/c1-4-29-23(26)17-14-31-21(24-17)13-16(25)12-15-8-5-6-9-18(15)30-20-11-7-10-19(27-2)22(20)28-3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyQZBMBDWDAMKBIW-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.48
Rot. Bonds10

About ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate

ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate (PubChem CID 58541231) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
PubChem CID58541231
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Nameethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CC(=O)Cc2ccccc2Oc2cccc(OC)c2OC)n1
InChIInChI=1S/C23H23NO6S/c1-4-29-23(26)17-14-31-21(24-17)13-16(25)12-15-8-5-6-9-18(15)30-20-11-7-10-19(27-2)22(20)28-3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyQZBMBDWDAMKBIW-UHFFFAOYSA-N
XLogP4.48
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylic acid
CID 58541411
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
ethyl 2-[amino-(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 82045364
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
methyl 6-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-oxohexanoate
CID 58541152
1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541326
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
ethyl 2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
CID 58541179
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
2-[2-[2-oxo-3-(2-phenoxyphenyl)propyl]-1,3-thiazol-4-yl]acetic acid
CID 58541221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate (CID 58541231) is ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CC(=O)Cc2ccccc2Oc2cccc(OC)c2OC)n1.
What is the InChIKey of ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate?
The InChIKey is QZBMBDWDAMKBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-4-29-23(26)17-14-31-21(24-17)13-16(25)12-15-8-5-6-9-18(15)30-20-11-7-10-19(27-2)22(20)28-3/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate has a molecular weight of 441.51 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58541231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).