(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione

C16H18N2O4S — CID 1204596

IUPAC(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1/C=C1/SC(=O)N(CN2CCOCC2)C1=O
InChIInChI=1S/C16H18N2O4S/c1-21-13-5-3-2-4-12(13)10-14-15(19)18(16(20)23-14)11-17-6-8-22-9-7-17/h2-5,10H,6-9,11H2,1H3/b14-10+
InChIKeyHYUIQKVBEVTGGI-GXDHUFHOSA-N
MW334.40 g/mol
LogP2.02
Rot. Bonds4

About (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1204596) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID1204596
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1/C=C1/SC(=O)N(CN2CCOCC2)C1=O
InChIInChI=1S/C16H18N2O4S/c1-21-13-5-3-2-4-12(13)10-14-15(19)18(16(20)23-14)11-17-6-8-22-9-7-17/h2-5,10H,6-9,11H2,1H3/b14-10+
InChIKeyHYUIQKVBEVTGGI-GXDHUFHOSA-N
XLogP2.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-[(2-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 2844306
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 96867168
(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6182404
2-[5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylazanium chloride
CID 74895480
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 19256116
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1368759
3-[(dipropylamino)methyl]-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4028083
tert-butyl 2-[(5E)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 6490505
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6123244
2-[(5Z)-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 126258544
(5E)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126129531
(5E)-5-[(2-butoxyphenyl)methylidene]-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 16648477

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 1204596) is (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is COc1ccccc1/C=C1/SC(=O)N(CN2CCOCC2)C1=O.
What is the InChIKey of (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HYUIQKVBEVTGGI-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-21-13-5-3-2-4-12(13)10-14-15(19)18(16(20)23-14)11-17-6-8-22-9-7-17/h2-5,10H,6-9,11H2,1H3/b14-10+.
What are the key properties of (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1204596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).