3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one

C20H15F3N2O2S — CID 58485431

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one
SMILESCc1nc(CC2(c3ccccc3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cs1
InChIInChI=1S/C20H15F3N2O2S/c1-12-24-14(11-28-12)10-19(13-5-3-2-4-6-13)16-9-15(27-20(21,22)23)7-8-17(16)25-18(19)26/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyLRZMAJUMAYXRLJ-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.83
Rot. Bonds4

About 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one (PubChem CID 58485431) has the molecular formula C20H15F3N2O2S and a molecular weight of 404.41 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one
PubChem CID58485431
Molecular FormulaC20H15F3N2O2S
Molecular Weight404.41 g/mol
Exact Mass404.08
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one
SMILESCc1nc(CC2(c3ccccc3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cs1
InChIInChI=1S/C20H15F3N2O2S/c1-12-24-14(11-28-12)10-19(13-5-3-2-4-6-13)16-9-15(27-20(21,22)23)7-8-17(16)25-18(19)26/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyLRZMAJUMAYXRLJ-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one (CID 58485431) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one is Cc1nc(CC2(c3ccccc3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one?
The InChIKey is LRZMAJUMAYXRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2S/c1-12-24-14(11-28-12)10-19(13-5-3-2-4-6-13)16-9-15(27-20(21,22)23)7-8-17(16)25-18(19)26/h2-9,11H,10H2,1H3,(H,25,26).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one has a molecular weight of 404.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one is sourced from PubChem (CID 58485431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).