3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

C21H25NO4S — CID 122330600

IUPAC3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1cc(OC)c(C2SCCN2C(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C21H25NO4S/c1-24-17-14-19(26-3)18(25-2)13-16(17)21-22(11-12-27-21)20(23)10-9-15-7-5-4-6-8-15/h4-8,13-14,21H,9-12H2,1-3H3
InChIKeyGUXSFNKDHTUPPF-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.92
Rot. Bonds7

About 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 122330600) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID122330600
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1cc(OC)c(C2SCCN2C(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C21H25NO4S/c1-24-17-14-19(26-3)18(25-2)13-16(17)21-22(11-12-27-21)20(23)10-9-15-7-5-4-6-8-15/h4-8,13-14,21H,9-12H2,1-3H3
InChIKeyGUXSFNKDHTUPPF-UHFFFAOYSA-N
XLogP3.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
3-cyclopentyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330728
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330826
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
isoquinolin-1-yl-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330792

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 122330600) is 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is COc1cc(OC)c(C2SCCN2C(=O)CCc2ccccc2)cc1OC.
What is the InChIKey of 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is GUXSFNKDHTUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-24-17-14-19(26-3)18(25-2)13-16(17)21-22(11-12-27-21)20(23)10-9-15-7-5-4-6-8-15/h4-8,13-14,21H,9-12H2,1-3H3.
What are the key properties of 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 387.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 122330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).