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

C18H10F3N3O2S — CID 3446683

IUPAC3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one
SMILES[H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)9-4-3-5-10(8-9)24-16(26)14(27-17(24)22)13-11-6-1-2-7-12(11)23-15(13)25/h1-8,22,26H/b22-17-
InChIKeyQRTNNCKLYICJFY-XLNRJJMWSA-N
MW389.36 g/mol
LogP2.10
Rot. Bonds2

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

3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one (PubChem CID 3446683) has the molecular formula C18H10F3N3O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one
PubChem CID3446683
Molecular FormulaC18H10F3N3O2S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC Name3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one
SMILES[H]/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)9-4-3-5-10(8-9)24-16(26)14(27-17(24)22)13-11-6-1-2-7-12(11)23-15(13)25/h1-8,22,26H/b22-17-
InChIKeyQRTNNCKLYICJFY-XLNRJJMWSA-N
XLogP2.10
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.10
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]indol-2-one?
The IUPAC name of 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one (CID 3446683) is 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one is [H]/N=c1\sc(C2=c3ccccc3=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]indol-2-one?
The InChIKey is QRTNNCKLYICJFY-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H10F3N3O2S/c19-18(20,21)9-4-3-5-10(8-9)24-16(26)14(27-17(24)22)13-11-6-1-2-7-12(11)23-15(13)25/h1-8,22,26H/b22-17-.
What are the key properties of 3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 389.36 g/mol, XLogP of 2.10, 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]indol-2-one is sourced from PubChem (CID 3446683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).