N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C11H6F4N2OS — CID 55142680

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cscn1
InChIInChI=1S/C11H6F4N2OS/c12-8-2-1-6(3-7(8)11(13,14)15)17-10(18)9-4-19-5-16-9/h1-5H,(H,17,18)
InChIKeyVPCNDPPIRYJYLY-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.55
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55142680) has the molecular formula C11H6F4N2OS and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55142680
Molecular FormulaC11H6F4N2OS
Molecular Weight290.24 g/mol
Exact Mass290.01
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cscn1
InChIInChI=1S/C11H6F4N2OS/c12-8-2-1-6(3-7(8)11(13,14)15)17-10(18)9-4-19-5-16-9/h1-5H,(H,17,18)
InChIKeyVPCNDPPIRYJYLY-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 65483586
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788471
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 55142680) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cscn1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VPCNDPPIRYJYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2OS/c12-8-2-1-6(3-7(8)11(13,14)15)17-10(18)9-4-19-5-16-9/h1-5H,(H,17,18).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55142680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).