[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone

C20H20N2O3S — CID 122330326

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2cc3ccccn3c2)c1
InChIInChI=1S/C20H20N2O3S/c1-24-16-6-7-18(25-2)17(12-16)20-22(9-10-26-20)19(23)14-11-15-5-3-4-8-21(15)13-14/h3-8,11-13,20H,9-10H2,1-2H3
InChIKeyRPADFINARPGTPU-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.84
Rot. Bonds4

About [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone (PubChem CID 122330326) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone
PubChem CID122330326
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2cc3ccccn3c2)c1
InChIInChI=1S/C20H20N2O3S/c1-24-16-6-7-18(25-2)17(12-16)20-22(9-10-26-20)19(23)14-11-15-5-3-4-8-21(15)13-14/h3-8,11-13,20H,9-10H2,1-2H3
InChIKeyRPADFINARPGTPU-UHFFFAOYSA-N
XLogP3.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122330377
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122330310
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122330259
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
1-adamantyl-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781031
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone (CID 122330326) is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone is COc1ccc(OC)c(C2SCCN2C(=O)c2cc3ccccn3c2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone?
The InChIKey is RPADFINARPGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-16-6-7-18(25-2)17(12-16)20-22(9-10-26-20)19(23)14-11-15-5-3-4-8-21(15)13-14/h3-8,11-13,20H,9-10H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone?
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone is sourced from PubChem (CID 122330326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).