5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C16H18FN3O2S — CID 1210752

IUPAC5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/SC(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1C
InChIInChI=1S/C16H18FN3O2S/c1-18-16-19(2)15(21)14(23-16)10-11-3-4-13(12(17)9-11)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3/b14-10?,18-16+
InChIKeyNPTDQXSUQZRHQJ-LYOGEXQLSA-N
MW335.40 g/mol
LogP2.19
Rot. Bonds2

About 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 1210752) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID1210752
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/SC(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1C
InChIInChI=1S/C16H18FN3O2S/c1-18-16-19(2)15(21)14(23-16)10-11-3-4-13(12(17)9-11)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3/b14-10?,18-16+
InChIKeyNPTDQXSUQZRHQJ-LYOGEXQLSA-N
XLogP2.19
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 126082261
5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4570133
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
(5Z)-5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126153215
(5Z)-3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 132682775
3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3769363
3-cyclohexyl-2-cyclohexylimino-5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3354438
(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556162
3-ethyl-5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3895030
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 40989977
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 40989976
(5E)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 50866051

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 1210752) is 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/SC(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N1C.
What is the InChIKey of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is NPTDQXSUQZRHQJ-LYOGEXQLSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-18-16-19(2)15(21)14(23-16)10-11-3-4-13(12(17)9-11)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3/b14-10?,18-16+.
What are the key properties of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 335.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1210752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).