2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione

C23H16FN3O3S — CID 156529355

IUPAC2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione
SMILESCC[C@@H](c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H16FN3O3S/c1-2-19(27-22(29)14-5-3-4-6-15(14)23(27)30)18-11-31-21(26-18)20(28)16-10-25-17-9-12(24)7-8-13(16)17/h3-11,19,25H,2H2,1H3/t19-/m0/s1
InChIKeyFIZGYOHLWIBAAB-IBGZPJMESA-N
MW433.46 g/mol
LogP4.74
Rot. Bonds5

About 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione

2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione (PubChem CID 156529355) has the molecular formula C23H16FN3O3S and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione
PubChem CID156529355
Molecular FormulaC23H16FN3O3S
Molecular Weight433.46 g/mol
Exact Mass433.09
IUPAC Name2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione
SMILESCC[C@@H](c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H16FN3O3S/c1-2-19(27-22(29)14-5-3-4-6-15(14)23(27)30)18-11-31-21(26-18)20(28)16-10-25-17-9-12(24)7-8-13(16)17/h3-11,19,25H,2H2,1H3/t19-/m0/s1
InChIKeyFIZGYOHLWIBAAB-IBGZPJMESA-N
XLogP4.74
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone;sulfane
CID 160579976
[4-[(1S)-1-aminopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;methane
CID 161081199
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 156529012
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone;sulfane
CID 165052366
(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 156529338
[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl] 4-(dimethylamino)butanoate
CID 155213732
(5,6-difluoro-1H-indol-3-yl)-[4-[(1S)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231624
1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl 4-(4-piperidin-1-ylpiperidin-1-yl)butanoate
CID 155213767
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
(5,7-difluoro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231612
(5-chloro-1H-indol-3-yl)-[4-[(1R)-1-hydroxypropyl]-1,3-thiazol-2-yl]methanone
CID 155231597
[4-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-1,3-thiazol-2-yl]-(6-fluoro-1H-indol-3-yl)methanone
CID 155713311

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione (CID 156529355) is 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione is CC[C@@H](c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione?
The InChIKey is FIZGYOHLWIBAAB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H16FN3O3S/c1-2-19(27-22(29)14-5-3-4-6-15(14)23(27)30)18-11-31-21(26-18)20(28)16-10-25-17-9-12(24)7-8-13(16)17/h3-11,19,25H,2H2,1H3/t19-/m0/s1.
What are the key properties of 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione?
2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione has a molecular weight of 433.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[2-(6-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 156529355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).