7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one

C13H12FN3OS — CID 82104898

IUPAC7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(-c3csc(N)n3)cc(F)cc21
InChIInChI=1S/C13H12FN3OS/c1-2-7-8-3-6(14)4-9(11(8)17-12(7)18)10-5-19-13(15)16-10/h3-5,7H,2H2,1H3,(H2,15,16)(H,17,18)
InChIKeyNTJUDTAEOWCMDB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.98
Rot. Bonds2

About 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one

7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82104898) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82104898
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(-c3csc(N)n3)cc(F)cc21
InChIInChI=1S/C13H12FN3OS/c1-2-7-8-3-6(14)4-9(11(8)17-12(7)18)10-5-19-13(15)16-10/h3-5,7H,2H2,1H3,(H2,15,16)(H,17,18)
InChIKeyNTJUDTAEOWCMDB-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (CID 82104898) is 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(-c3csc(N)n3)cc(F)cc21.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is NTJUDTAEOWCMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-2-7-8-3-6(14)4-9(11(8)17-12(7)18)10-5-19-13(15)16-10/h3-5,7H,2H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82104898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).