(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone

C15H13F3N2O2S — CID 136571166

IUPAC(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone
SMILESCC1(O)CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)C1
InChIInChI=1S/C15H13F3N2O2S/c1-14(22)7-20(8-14)13(21)12-19-11(6-23-12)9-3-2-4-10(5-9)15(16,17)18/h2-6,22H,7-8H2,1H3
InChIKeyFDYYAVVHDOZSEP-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.04
Rot. Bonds2

About (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone

(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone (PubChem CID 136571166) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone
PubChem CID136571166
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone
SMILESCC1(O)CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)C1
InChIInChI=1S/C15H13F3N2O2S/c1-14(22)7-20(8-14)13(21)12-19-11(6-23-12)9-3-2-4-10(5-9)15(16,17)18/h2-6,22H,7-8H2,1H3
InChIKeyFDYYAVVHDOZSEP-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 25030122
thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42197452
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 45183616
1-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122074673
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
5-methyl-1-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxylic acid
CID 66939718
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
CID 163310450
4-[hydroxy-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]benzoic acid
CID 66939544
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 120818924
4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 18548742

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone (CID 136571166) is (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone is CC1(O)CN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)C1.
What is the InChIKey of (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone?
The InChIKey is FDYYAVVHDOZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-14(22)7-20(8-14)13(21)12-19-11(6-23-12)9-3-2-4-10(5-9)15(16,17)18/h2-6,22H,7-8H2,1H3.
What are the key properties of (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone?
(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone has a molecular weight of 342.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 136571166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).