2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

C19H12F3N3OS — CID 58278747

IUPAC2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(F)cc1C(F)F)C2
InChIInChI=1S/C19H12F3N3OS/c20-11-4-5-12(14(9-11)17(21)22)15-8-10-2-1-3-13(16(10)24-15)18(26)25-19-23-6-7-27-19/h1-7,9,17H,8H2,(H,23,25,26)
InChIKeyWGDHYRIZSCLXHF-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.15
Rot. Bonds4

About 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide

2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (PubChem CID 58278747) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
PubChem CID58278747
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(F)cc1C(F)F)C2
InChIInChI=1S/C19H12F3N3OS/c20-11-4-5-12(14(9-11)17(21)22)15-8-10-2-1-3-13(16(10)24-15)18(26)25-19-23-6-7-27-19/h1-7,9,17H,8H2,(H,23,25,26)
InChIKeyWGDHYRIZSCLXHF-UHFFFAOYSA-N
XLogP5.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279339
2-pyridin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279305
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]-3H-indole-7-carboxamide
CID 58278699
2-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278966
2-[6-[3-(dimethylamino)propyl]-3-pyridinyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279011
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279051
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-7-carboxamide
CID 87688369
potassium;2-(5-chloro-2-methylphenyl)-3H-indole-7-carboxylic acid;1-methanidylpyrrolidine;2-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine;trifluoroborane
CID 160800996
(2R)-2-amino-2-(2,5-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175993315
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide (CID 58278747) is 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(F)cc1C(F)F)C2.
What is the InChIKey of 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
The InChIKey is WGDHYRIZSCLXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-11-4-5-12(14(9-11)17(21)22)15-8-10-2-1-3-13(16(10)24-15)18(26)25-19-23-6-7-27-19/h1-7,9,17H,8H2,(H,23,25,26).
What are the key properties of 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide?
2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide is sourced from PubChem (CID 58278747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).