ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate

C18H25NO5S — CID 3074756

IUPACethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
SMILESCCOC(=O)C(C)(C)C(=O)N1CCSC1COc1ccccc1OC
InChIInChI=1S/C18H25NO5S/c1-5-23-17(21)18(2,3)16(20)19-10-11-25-15(19)12-24-14-9-7-6-8-13(14)22-4/h6-9,15H,5,10-12H2,1-4H3
InChIKeyBBCSPZIDOSQDPM-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.56
Rot. Bonds7

About ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate

ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate (PubChem CID 3074756) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
PubChem CID3074756
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Nameethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
SMILESCCOC(=O)C(C)(C)C(=O)N1CCSC1COc1ccccc1OC
InChIInChI=1S/C18H25NO5S/c1-5-23-17(21)18(2,3)16(20)19-10-11-25-15(19)12-24-14-9-7-6-8-13(14)22-4/h6-9,15H,5,10-12H2,1-4H3
InChIKeyBBCSPZIDOSQDPM-UHFFFAOYSA-N
XLogP2.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 3074757
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
CID 10362542
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]butane-1,2-dione
CID 67937248
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone
CID 10380016
O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
CID 54317297
methyl 2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethanesulfinate
CID 67898984
N-(cyclohexylmethyl)-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanamide
CID 139643557
3-[4-hydroxy-3-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one;hydrochloride
CID 70382771
S-[2-oxo-2-[2-[(2-prop-2-ynoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethyl] ethanethioate
CID 57038327
3-[4-hydroxy-3-methoxy-5-(morpholin-4-ylmethyl)phenyl]-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one;hydrochloride
CID 70393187
(2S)-N'-(4-benzhydrylpiperazin-1-yl)-2-[(2R)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propanediamide
CID 67867497
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
The IUPAC name of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate (CID 3074756) is ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
The canonical SMILES for ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate is CCOC(=O)C(C)(C)C(=O)N1CCSC1COc1ccccc1OC.
What is the InChIKey of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
The InChIKey is BBCSPZIDOSQDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-5-23-17(21)18(2,3)16(20)19-10-11-25-15(19)12-24-14-9-7-6-8-13(14)22-4/h6-9,15H,5,10-12H2,1-4H3.
What are the key properties of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate has a molecular weight of 367.47 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate is sourced from PubChem (CID 3074756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).