3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one

C23H14IN3O2S — CID 1224703

IUPAC3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one
SMILESO=C1N=c2ccc(I)cc2=C1c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1O
InChIInChI=1S/C23H14IN3O2S/c24-14-11-12-18-17(13-14)19(21(28)26-18)20-22(29)27(16-9-5-2-6-10-16)23(30-20)25-15-7-3-1-4-8-15/h1-13,29H/b25-23-
InChIKeySOZHNACKAUYAEW-BZZOAKBMSA-N
MW523.36 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one

3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one (PubChem CID 1224703) has the molecular formula C23H14IN3O2S and a molecular weight of 523.36 g/mol. Its IUPAC name is 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one
PubChem CID1224703
Molecular FormulaC23H14IN3O2S
Molecular Weight523.36 g/mol
Exact Mass522.99
IUPAC Name3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one
SMILESO=C1N=c2ccc(I)cc2=C1c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1O
InChIInChI=1S/C23H14IN3O2S/c24-14-11-12-18-17(13-14)19(21(28)26-18)20-22(29)27(16-9-5-2-6-10-16)23(30-20)25-15-7-3-1-4-8-15/h1-13,29H/b25-23-
InChIKeySOZHNACKAUYAEW-BZZOAKBMSA-N
XLogP3.44
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-Bromo-2-oxo-1,2-dihydro-indol-3-ylidene)-3-phenyl-thiazolidine-2,4-dione
CID 1379490
(3Z)-5-chloro-3-[(2Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1239650
(3E)-5-fluoro-3-[(2Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 4026100
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-methyl-quinolin-2(1h)-one
CID 156580113
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-chloro-quinolin-2(1h)-one
CID 156580114
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-bromo-quinolin-2(1h)-one
CID 156580116
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-fluoro-quinolin-2(1h)-one
CID 156580132
5-(2-Oxo-1,2-dihydro-indol-3-ylidene)-3-phenyl-thiazolidine-2,4-dione
CID 1912882
(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
CID 1306124
(Z)-3-(4-fluorophenyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
CID 1390421
(Z)-3-(2-fluorophenyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
CID 1544040
3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-fluoro-1,3-dihydro-2H-indol-2-one
CID 1750002

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one?
The IUPAC name of 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one (CID 1224703) is 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one?
The canonical SMILES for 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one is O=C1N=c2ccc(I)cc2=C1c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1O.
What is the InChIKey of 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one?
The InChIKey is SOZHNACKAUYAEW-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H14IN3O2S/c24-14-11-12-18-17(13-14)19(21(28)26-18)20-22(29)27(16-9-5-2-6-10-16)23(30-20)25-15-7-3-1-4-8-15/h1-13,29H/b25-23-.
What are the key properties of 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one?
3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one has a molecular weight of 523.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)-5-iodoindol-2-one is sourced from PubChem (CID 1224703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).