2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

C23H26N2O4S — CID 122330826

IUPAC2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1cc(OC)c(C2SCCN2C(=O)Cc2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C23H26N2O4S/c1-24-14-15(16-7-5-6-8-18(16)24)11-22(26)25-9-10-30-23(25)17-12-20(28-3)21(29-4)13-19(17)27-2/h5-8,12-14,23H,9-11H2,1-4H3
InChIKeyQSJDPOPBLAEGEO-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.02
Rot. Bonds6

About 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 122330826) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID122330826
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1cc(OC)c(C2SCCN2C(=O)Cc2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C23H26N2O4S/c1-24-14-15(16-7-5-6-8-18(16)24)11-22(26)25-9-10-30-23(25)17-12-20(28-3)21(29-4)13-19(17)27-2/h5-8,12-14,23H,9-11H2,1-4H3
InChIKeyQSJDPOPBLAEGEO-UHFFFAOYSA-N
XLogP4.02
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122330147
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122345740
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845
isoquinolin-1-yl-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330792
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-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone
CID 122330084
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 122330826) is 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is COc1cc(OC)c(C2SCCN2C(=O)Cc2cn(C)c3ccccc23)cc1OC.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is QSJDPOPBLAEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-24-14-15(16-7-5-6-8-18(16)24)11-22(26)25-9-10-30-23(25)17-12-20(28-3)21(29-4)13-19(17)27-2/h5-8,12-14,23H,9-11H2,1-4H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 426.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 122330826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).