2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C11H5F4NO3S — CID 169498549

IUPAC2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OC(F)(F)F)cc2F)n1
InChIInChI=1S/C11H5F4NO3S/c12-7-3-5(19-11(13,14)15)1-2-6(7)9-16-8(4-20-9)10(17)18/h1-4H,(H,17,18)
InChIKeyFJASCDVSOKSBBQ-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.55
Rot. Bonds3

About 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 169498549) has the molecular formula C11H5F4NO3S and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID169498549
Molecular FormulaC11H5F4NO3S
Molecular Weight307.22 g/mol
Exact Mass306.99
IUPAC Name2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OC(F)(F)F)cc2F)n1
InChIInChI=1S/C11H5F4NO3S/c12-7-3-5(19-11(13,14)15)1-2-6(7)9-16-8(4-20-9)10(17)18/h1-4H,(H,17,18)
InChIKeyFJASCDVSOKSBBQ-UHFFFAOYSA-N
XLogP3.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
2-[2-fluoro-4-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 123962204
[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068140
2-(2-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46066843
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 42865736
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657
2-[methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 90292024
2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 87450920
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 169498549) is 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(OC(F)(F)F)cc2F)n1.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FJASCDVSOKSBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NO3S/c12-7-3-5(19-11(13,14)15)1-2-6(7)9-16-8(4-20-9)10(17)18/h1-4H,(H,17,18).
What are the key properties of 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 307.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 169498549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).