3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C18H24N2O3S — CID 4028083

IUPAC3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCN(CCC)CN1C(=O)SC(=Cc2ccccc2OC)C1=O
InChIInChI=1S/C18H24N2O3S/c1-4-10-19(11-5-2)13-20-17(21)16(24-18(20)22)12-14-8-6-7-9-15(14)23-3/h6-9,12H,4-5,10-11,13H2,1-3H3
InChIKeyLTGLPYAKYKUGJR-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.81
Rot. Bonds8

About 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 4028083) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID4028083
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCN(CCC)CN1C(=O)SC(=Cc2ccccc2OC)C1=O
InChIInChI=1S/C18H24N2O3S/c1-4-10-19(11-5-2)13-20-17(21)16(24-18(20)22)12-14-8-6-7-9-15(14)23-3/h6-9,12H,4-5,10-11,13H2,1-3H3
InChIKeyLTGLPYAKYKUGJR-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylazanium chloride
CID 74895480
butyl 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126344959
tert-butyl 2-[(5E)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 6490505
[(2S)-butan-2-yl] 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126350254
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6513237
(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1204596
(5E)-5-[(2-methoxyphenyl)methylidene]-3-(3-oxo-3-phenothiazin-10-ylpropyl)-1,3-thiazolidine-2,4-dione
CID 1416921
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 19256116
(5Z)-3-[(dipropylamino)methyl]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2262829
(5Z)-3-ethyl-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126335285
(5E)-3-(2-aminoethyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 39149094
3-(2-aminoethyl)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 74869783

Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 4028083) is 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CCCN(CCC)CN1C(=O)SC(=Cc2ccccc2OC)C1=O.
What is the InChIKey of 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LTGLPYAKYKUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-10-19(11-5-2)13-20-17(21)16(24-18(20)22)12-14-8-6-7-9-15(14)23-3/h6-9,12H,4-5,10-11,13H2,1-3H3.
What are the key properties of 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 348.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4028083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).