[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C16H15F3N2O2S — CID 152554134

IUPAC[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nc(N2CC[C@@H](O)C2)sc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2S/c1-9-14(24-15(20-9)21-6-5-12(22)8-21)13(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3/t12-/m1/s1
InChIKeyYOCNHZZQQRUREG-GFCCVEGCSA-N
MW356.37 g/mol
LogP3.27
Rot. Bonds3

About [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 152554134) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID152554134
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1nc(N2CC[C@@H](O)C2)sc1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2S/c1-9-14(24-15(20-9)21-6-5-12(22)8-21)13(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3/t12-/m1/s1
InChIKeyYOCNHZZQQRUREG-GFCCVEGCSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3S)-3-hydroxypiperidin-1-yl]-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146570846
[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146571023
(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 142830561
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 7615282
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 41116747
2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
CID 72699038
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256403

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 152554134) is [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1nc(N2CC[C@@H](O)C2)sc1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is YOCNHZZQQRUREG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-9-14(24-15(20-9)21-6-5-12(22)8-21)13(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12,22H,5-6,8H2,1H3/t12-/m1/s1.
What are the key properties of [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 356.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 152554134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).