3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one

C19H12F3N3O2S — CID 3446684

IUPAC3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILES[H]/N=c1\sc(C2=c3cc(C)ccc3=NC2=O)c(O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3O2S/c1-9-5-6-13-12(7-9)14(16(26)24-13)15-17(27)25(18(23)28-15)11-4-2-3-10(8-11)19(20,21)22/h2-8,23,27H,1H3/b23-18-
InChIKeyAIHOGYOTIIMGOM-NKFKGCMQSA-N
MW403.39 g/mol
LogP2.41
Rot. Bonds2

About 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one

3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one (PubChem CID 3446684) has the molecular formula C19H12F3N3O2S and a molecular weight of 403.39 g/mol. Its IUPAC name is 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one
PubChem CID3446684
Molecular FormulaC19H12F3N3O2S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC Name3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILES[H]/N=c1\sc(C2=c3cc(C)ccc3=NC2=O)c(O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3O2S/c1-9-5-6-13-12(7-9)14(16(26)24-13)15-17(27)25(18(23)28-15)11-4-2-3-10(8-11)19(20,21)22/h2-8,23,27H,1H3/b23-18-
InChIKeyAIHOGYOTIIMGOM-NKFKGCMQSA-N
XLogP2.41
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one?
The IUPAC name of 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one (CID 3446684) is 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one is [H]/N=c1\sc(C2=c3cc(C)ccc3=NC2=O)c(O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one?
The InChIKey is AIHOGYOTIIMGOM-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H12F3N3O2S/c1-9-5-6-13-12(7-9)14(16(26)24-13)15-17(27)25(18(23)28-15)11-4-2-3-10(8-11)19(20,21)22/h2-8,23,27H,1H3/b23-18-.
What are the key properties of 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one?
3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one has a molecular weight of 403.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-5-methylindol-2-one is sourced from PubChem (CID 3446684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).