N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide

C17H9F5N2OS — CID 24764656

IUPACN-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ncc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H9F5N2OS/c18-11-5-2-6-12(19)14(11)24-15(25)16-23-8-13(26-16)9-3-1-4-10(7-9)17(20,21)22/h1-8H,(H,24,25)
InChIKeyMDFYWTWOZMEKAR-UHFFFAOYSA-N
MW384.33 g/mol
LogP5.36
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide

N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 24764656) has the molecular formula C17H9F5N2OS and a molecular weight of 384.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID24764656
Molecular FormulaC17H9F5N2OS
Molecular Weight384.33 g/mol
Exact Mass384.04
IUPAC NameN-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ncc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H9F5N2OS/c18-11-5-2-6-12(19)14(11)24-15(25)16-23-8-13(26-16)9-3-1-4-10(7-9)17(20,21)22/h1-8H,(H,24,25)
InChIKeyMDFYWTWOZMEKAR-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.33
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide (CID 24764656) is N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide is O=C(Nc1c(F)cccc1F)c1ncc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is MDFYWTWOZMEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5N2OS/c18-11-5-2-6-12(19)14(11)24-15(25)16-23-8-13(26-16)9-3-1-4-10(7-9)17(20,21)22/h1-8H,(H,24,25).
What are the key properties of N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 24764656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).