(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

C25H24F3N3O2S — CID 57397270

IUPAC(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(13-15-6-8-18(27)19(28)12-15)34-25(31)22-17-14-16(26)7-9-20(17)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-13?,25-22-
InChIKeyNPRJNAAUEYBLPR-KMDAOWGYSA-N
MW487.55 g/mol
LogP3.04
Rot. Bonds7

About (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 57397270) has the molecular formula C25H24F3N3O2S and a molecular weight of 487.55 g/mol. Its IUPAC name is (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID57397270
Molecular FormulaC25H24F3N3O2S
Molecular Weight487.55 g/mol
Exact Mass487.15
IUPAC Name(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(13-15-6-8-18(27)19(28)12-15)34-25(31)22-17-14-16(26)7-9-20(17)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-13?,25-22-
InChIKeyNPRJNAAUEYBLPR-KMDAOWGYSA-N
XLogP3.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135
2-(1-(Cyclopentylmethyl)-7-fluoro-2-oxoindolin-3-ylidene)acetamide
CID 46890000
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1960010
(2S)-N~1~-(3-fluorophenyl)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
CID 16008230
2-{2,4'-Dioxo-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-YL}-N-(4-ethylphenyl)acetamide
CID 16023228
N-(2-ethyl-6-methylphenyl)-2-(3'-(3-fluorophenyl)-2,4'-dioxospiro[indoline-3,2'-thiazolidin]-1-yl)acetamide
CID 16023292
2-[3'-(4-Fluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-YL]-N-(2,4,6-trimethylphenyl)acetamide
CID 16023300
2-[3'-(3,4-difluorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-1-yl]-N-(4-ethylphenyl)acetamide
CID 16023413
N-Cyclohexyl-2-[3'-(4-methylphenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-YL]acetamide
CID 16023427
(3E)-1-benzyl-3-[[2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1,2-dihydropyridin-6-yl]methylidene]indol-2-one
CID 46887386

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 57397270) is (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is CCN(CC)CCCn1c(=O)c(=Cc2ccc(F)c(F)c2)s/c1=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is NPRJNAAUEYBLPR-KMDAOWGYSA-N. The full InChI is InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(13-15-6-8-18(27)19(28)12-15)34-25(31)22-17-14-16(26)7-9-20(17)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-13?,25-22-.
What are the key properties of (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 487.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 57397270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).