N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide

C19H12F3N3O2S — CID 58578193

IUPACN-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1cncs1
InChIInChI=1S/C19H12F3N3O2S/c20-19(21,22)12-4-2-5-13(7-12)25-9-11-3-1-6-14(16(11)18(25)27)24-17(26)15-8-23-10-28-15/h1-8,10H,9H2,(H,24,26)
InChIKeyDJVKTJYLIXFRLN-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.57
Rot. Bonds3

About N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide

N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 58578193) has the molecular formula C19H12F3N3O2S and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID58578193
Molecular FormulaC19H12F3N3O2S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC NameN-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1cncs1
InChIInChI=1S/C19H12F3N3O2S/c20-19(21,22)12-4-2-5-13(7-12)25-9-11-3-1-6-14(16(11)18(25)27)24-17(26)15-8-23-10-28-15/h1-8,10H,9H2,(H,24,26)
InChIKeyDJVKTJYLIXFRLN-UHFFFAOYSA-N
XLogP4.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide (CID 58578193) is N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2)c1cncs1.
What is the InChIKey of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DJVKTJYLIXFRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2S/c20-19(21,22)12-4-2-5-13(7-12)25-9-11-3-1-6-14(16(11)18(25)27)24-17(26)15-8-23-10-28-15/h1-8,10H,9H2,(H,24,26).
What are the key properties of N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide?
N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58578193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).