5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one

C18H12F3N3OS — CID 29109545

IUPAC5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)ccc2N1
InChIInChI=1S/C18H12F3N3OS/c19-18(20,21)12-3-1-2-4-14(12)23-17-24-15(9-26-17)10-5-6-13-11(7-10)8-16(25)22-13/h1-7,9H,8H2,(H,22,25)(H,23,24)
InChIKeyHDNRDSVZFAMAJM-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.07
Rot. Bonds3

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

5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 29109545) has the molecular formula C18H12F3N3OS and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID29109545
Molecular FormulaC18H12F3N3OS
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)ccc2N1
InChIInChI=1S/C18H12F3N3OS/c19-18(20,21)12-3-1-2-4-14(12)23-17-24-15(9-26-17)10-5-6-13-11(7-10)8-16(25)22-13/h1-7,9H,8H2,(H,22,25)(H,23,24)
InChIKeyHDNRDSVZFAMAJM-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one (CID 29109545) is 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)ccc2N1.
What is the InChIKey of 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is HDNRDSVZFAMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3OS/c19-18(20,21)12-3-1-2-4-14(12)23-17-24-15(9-26-17)10-5-6-13-11(7-10)8-16(25)22-13/h1-7,9H,8H2,(H,22,25)(H,23,24).
What are the key properties of 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one?
5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 375.38 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 29109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).