2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C19H11F4N3OS — CID 58279108

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(F)cc1C(F)(F)F)C2
InChIInChI=1S/C19H11F4N3OS/c20-11-4-5-12(14(9-11)19(21,22)23)15-8-10-2-1-3-13(16(10)25-15)17(27)26-18-24-6-7-28-18/h1-7,9H,8H2,(H,24,26,27)
InChIKeyZYQGPRWVIMXHHZ-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.23
Rot. Bonds3

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58279108) has the molecular formula C19H11F4N3OS and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58279108
Molecular FormulaC19H11F4N3OS
Molecular Weight405.38 g/mol
Exact Mass405.06
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(F)cc1C(F)(F)F)C2
InChIInChI=1S/C19H11F4N3OS/c20-11-4-5-12(14(9-11)19(21,22)23)15-8-10-2-1-3-13(16(10)25-15)17(27)26-18-24-6-7-28-18/h1-7,9H,8H2,(H,24,26,27)
InChIKeyZYQGPRWVIMXHHZ-UHFFFAOYSA-N
XLogP5.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58279108) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(F)cc1C(F)(F)F)C2.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is ZYQGPRWVIMXHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3OS/c20-11-4-5-12(14(9-11)19(21,22)23)15-8-10-2-1-3-13(16(10)25-15)17(27)26-18-24-6-7-28-18/h1-7,9H,8H2,(H,24,26,27).
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58279108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).