(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C12H15NO4S — CID 747825

IUPAC(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@@H]2NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C12H15NO4S/c1-15-8-4-7(12-13-10(14)6-18-12)5-9(16-2)11(8)17-3/h4-5,12H,6H2,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeySRXJNBCCQFXHQD-GFCCVEGCSA-N
MW269.32 g/mol
LogP1.57
Rot. Bonds4

About (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 747825) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID747825
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc([C@@H]2NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C12H15NO4S/c1-15-8-4-7(12-13-10(14)6-18-12)5-9(16-2)11(8)17-3/h4-5,12H,6H2,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeySRXJNBCCQFXHQD-GFCCVEGCSA-N
XLogP1.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,2,4-triazol-5-one
CID 78300787
(4R)-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135930997
1-cycloheptyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 663023
2,6-bis(3,4,5-trimethoxyphenyl)thian-4-one
CID 154121584
3-(2-bromoethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 19075728
(4S)-1-(thian-4-yl)-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 97426703
(1R,2R,4S,5S)-2,4-bis(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 71473110
(5R,6R)-5-nitro-6-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 674181
1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
CID 15004762
2,3-dimethoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)thiolan-2-yl]aniline
CID 15292956
2-(3-chlorophenyl)-1,3-thiazolidin-4-one
CID 5050533
(4S)-3-methyl-1-pyrimidin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135882714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 747825) is (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc([C@@H]2NC(=O)CS2)cc(OC)c1OC.
What is the InChIKey of (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is SRXJNBCCQFXHQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-15-8-4-7(12-13-10(14)6-18-12)5-9(16-2)11(8)17-3/h4-5,12H,6H2,1-3H3,(H,13,14)/t12-/m1/s1.
What are the key properties of (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
(2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 269.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).