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

C14H14FN3OS — CID 82104940

IUPAC7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(-c3nc(N)sc3C)cc(F)cc21
InChIInChI=1S/C14H14FN3OS/c1-3-8-9-4-7(15)5-10(12(9)17-13(8)19)11-6(2)20-14(16)18-11/h4-5,8H,3H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyQIVZJIUSKVWMCF-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.29
Rot. Bonds2

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

7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82104940) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82104940
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(-c3nc(N)sc3C)cc(F)cc21
InChIInChI=1S/C14H14FN3OS/c1-3-8-9-4-7(15)5-10(12(9)17-13(8)19)11-6(2)20-14(16)18-11/h4-5,8H,3H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyQIVZJIUSKVWMCF-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one (CID 82104940) is 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(-c3nc(N)sc3C)cc(F)cc21.
What is the InChIKey of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is QIVZJIUSKVWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-3-8-9-4-7(15)5-10(12(9)17-13(8)19)11-6(2)20-14(16)18-11/h4-5,8H,3H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one?
7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82104940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).