2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol

C15H9F4N3OS — CID 174669115

IUPAC2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol
SMILESOc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccncc1
InChIInChI=1S/C15H9F4N3OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-14-22-12(13(23)24-14)8-3-5-20-6-4-8/h1-7,23H,(H,21,22)
InChIKeyUIHHDVQOLDLXMI-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.81
Rot. Bonds3

About 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol

2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol (PubChem CID 174669115) has the molecular formula C15H9F4N3OS and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol
PubChem CID174669115
Molecular FormulaC15H9F4N3OS
Molecular Weight355.32 g/mol
Exact Mass355.04
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol
SMILESOc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccncc1
InChIInChI=1S/C15H9F4N3OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-14-22-12(13(23)24-14)8-3-5-20-6-4-8/h1-7,23H,(H,21,22)
InChIKeyUIHHDVQOLDLXMI-UHFFFAOYSA-N
XLogP4.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-methylsulfonyl-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
CID 164587647
5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 64622843
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
2-[4-fluoro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80568805
[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
CID 2774811
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yloxy-1,3,4-thiadiazol-2-yl)urea
CID 69448140
4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 61227454
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine
CID 141310245
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
[4-fluoro-3-(trifluoromethyl)phenyl]carbamodithioic acid
CID 88803293

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol (CID 174669115) is 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol is Oc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccncc1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol?
The InChIKey is UIHHDVQOLDLXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-14-22-12(13(23)24-14)8-3-5-20-6-4-8/h1-7,23H,(H,21,22).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol?
2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol has a molecular weight of 355.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol is sourced from PubChem (CID 174669115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).