2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

C17H26N2O3S — CID 42795940

IUPAC2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SC(C)C(=O)N2CCNC(C)C)c1
InChIInChI=1S/C17H26N2O3S/c1-11(2)18-8-9-19-16(20)12(3)23-17(19)14-10-13(21-4)6-7-15(14)22-5/h6-7,10-12,17-18H,8-9H2,1-5H3
InChIKeyOUERZFASPCEERZ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.66
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 42795940) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID42795940
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(C2SC(C)C(=O)N2CCNC(C)C)c1
InChIInChI=1S/C17H26N2O3S/c1-11(2)18-8-9-19-16(20)12(3)23-17(19)14-10-13(21-4)6-7-15(14)22-5/h6-7,10-12,17-18H,8-9H2,1-5H3
InChIKeyOUERZFASPCEERZ-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795938
2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715469
2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42815159
N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42815317
(2R,5S)-2-(2,5-dimethoxyphenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]methyl]-5-methyl-1,3-thiazolidin-4-one
CID 93306805
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
N-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]propan-2-amine
CID 116995663
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (CID 42795940) is 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is COc1ccc(OC)c(C2SC(C)C(=O)N2CCNC(C)C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is OUERZFASPCEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11(2)18-8-9-19-16(20)12(3)23-17(19)14-10-13(21-4)6-7-15(14)22-5/h6-7,10-12,17-18H,8-9H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 338.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).