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

C16H24N2O2S — CID 24715469

IUPAC2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SC(C)C(=O)N1CCNC(C)C
InChIInChI=1S/C16H24N2O2S/c1-11(2)17-9-10-18-15(19)12(3)21-16(18)13-7-5-6-8-14(13)20-4/h5-8,11-12,16-17H,9-10H2,1-4H3
InChIKeySLKRVJFWHHEUCT-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.66
Rot. Bonds6

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

2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 24715469) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID24715469
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SC(C)C(=O)N1CCNC(C)C
InChIInChI=1S/C16H24N2O2S/c1-11(2)17-9-10-18-15(19)12(3)21-16(18)13-7-5-6-8-14(13)20-4/h5-8,11-12,16-17H,9-10H2,1-4H3
InChIKeySLKRVJFWHHEUCT-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795940
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
CID 42815127
1-[3-[5-ethyl-2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]-1-methyl-3-propan-2-ylurea
CID 42815417
2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
CID 42795890
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930
N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42815317
4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42814776
3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
CID 46137544
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 10049638
N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide
CID 42814732

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (CID 24715469) is 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is COc1ccccc1C1SC(C)C(=O)N1CCNC(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is SLKRVJFWHHEUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)17-9-10-18-15(19)12(3)21-16(18)13-7-5-6-8-14(13)20-4/h5-8,11-12,16-17H,9-10H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 308.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 24715469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).