3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C17H26N2O4S — CID 3474517

IUPAC3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(C2SCC(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C17H26N2O4S/c1-18(2)7-6-8-19-16(20)11-24-17(19)12-9-14(22-4)15(23-5)10-13(12)21-3/h9-10,17H,6-8,11H2,1-5H3
InChIKeyKHTYQQTXMALEGQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.24
Rot. Bonds8

About 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3474517) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3474517
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(OC)c(C2SCC(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C17H26N2O4S/c1-18(2)7-6-8-19-16(20)11-24-17(19)12-9-14(22-4)15(23-5)10-13(12)21-3/h9-10,17H,6-8,11H2,1-5H3
InChIKeyKHTYQQTXMALEGQ-UHFFFAOYSA-N
XLogP2.24
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3556568
3-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23763714
3-(2-morpholin-4-ylethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23883321
2-(2,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 3792861
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23794155
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7260789
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 3474517) is 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(OC)c(C2SCC(=O)N2CCCN(C)C)cc1OC.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KHTYQQTXMALEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-18(2)7-6-8-19-16(20)11-24-17(19)12-9-14(22-4)15(23-5)10-13(12)21-3/h9-10,17H,6-8,11H2,1-5H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 354.47 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3474517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).