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

C22H24N2O3S — CID 122345740

IUPAC1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOc1ccc(C2SCCN2C(=O)Cc2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-23-14-16(17-6-4-5-7-18(17)23)13-21(25)24-10-11-28-22(24)15-8-9-19(26-2)20(12-15)27-3/h4-9,12,14,22H,10-11,13H2,1-3H3
InChIKeyXJXZCRFGCMYPOV-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.01
Rot. Bonds5

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

1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 122345740) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID122345740
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCOc1ccc(C2SCCN2C(=O)Cc2cn(C)c3ccccc23)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-23-14-16(17-6-4-5-7-18(17)23)13-21(25)24-10-11-28-22(24)15-8-9-19(26-2)20(12-15)27-3/h4-9,12,14,22H,10-11,13H2,1-3H3
InChIKeyXJXZCRFGCMYPOV-UHFFFAOYSA-N
XLogP4.01
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-3-yl)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330826
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-(4-methoxyphenyl)ethanone
CID 122345649
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088
3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122345737
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
CID 122345651
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122345690
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-iodophenyl)methanone
CID 122345806
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
CID 10409832
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 122329981
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone (CID 122345740) is 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone is COc1ccc(C2SCCN2C(=O)Cc2cn(C)c3ccccc23)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is XJXZCRFGCMYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-23-14-16(17-6-4-5-7-18(17)23)13-21(25)24-10-11-28-22(24)15-8-9-19(26-2)20(12-15)27-3/h4-9,12,14,22H,10-11,13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 396.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 122345740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).