5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

C18H13FN2OS — CID 73387018

IUPAC5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(F)ccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C18H13FN2OS/c1-10-6-13(19)3-4-14(10)18-21-16(9-23-18)11-2-5-15-12(7-11)8-17(22)20-15/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyXLKNJRRDZWRHRW-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.42
Rot. Bonds2

About 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 73387018) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID73387018
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESCc1cc(F)ccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1
InChIInChI=1S/C18H13FN2OS/c1-10-6-13(19)3-4-14(10)18-21-16(9-23-18)11-2-5-15-12(7-11)8-17(22)20-15/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyXLKNJRRDZWRHRW-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 73387018) is 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is Cc1cc(F)ccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1.
What is the InChIKey of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is XLKNJRRDZWRHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-10-6-13(19)3-4-14(10)18-21-16(9-23-18)11-2-5-15-12(7-11)8-17(22)20-15/h2-7,9H,8H2,1H3,(H,20,22).
What are the key properties of 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 324.38 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 73387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).