2-(3,4-dimethoxyphenyl)-1,3-thiazolidine

C11H15NO2S — CID 3050896

IUPAC2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2NCCS2)cc1OC
InChIInChI=1S/C11H15NO2S/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeySEBSCXLWNCIHNW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.04
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine

2-(3,4-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 3050896) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID3050896
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2NCCS2)cc1OC
InChIInChI=1S/C11H15NO2S/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeySEBSCXLWNCIHNW-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
CID 126475922
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
2-(3-chloro-4-methoxyphenyl)-1,3-thiazinane
CID 66217529
2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
CID 97288722
2-(6-methoxy-3-pyridinyl)-1,3-thiazolidine
CID 114938310
2-(4-methylphenyl)-1,3-thiazolidine
CID 2771069
2-(3,4-dimethoxyphenyl)-1,3-diazinane
CID 86188802
2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
CID 105403203
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium
CID 4172110
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine (CID 3050896) is 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine is COc1ccc(C2NCCS2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is SEBSCXLWNCIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11/h3-4,7,11-12H,5-6H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 225.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3050896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).