3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid

C10H11F3N2O2S — CID 122052587

IUPAC3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H11F3N2O2S/c1-9(7(16)17)2-3-15(5-9)8-14-4-6(18-8)10(11,12)13/h4H,2-3,5H2,1H3,(H,16,17)
InChIKeyWFZZWUYPGJNQOP-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.46
Rot. Bonds2

About 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid

3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 122052587) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID122052587
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H11F3N2O2S/c1-9(7(16)17)2-3-15(5-9)8-14-4-6(18-8)10(11,12)13/h4H,2-3,5H2,1H3,(H,16,17)
InChIKeyWFZZWUYPGJNQOP-UHFFFAOYSA-N
XLogP2.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-3-[methyl-[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 164629549
5-Hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 142474445
1-(5-Methylthiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 16781109
1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708373
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710011
1-[(5-Methyl-1,3-thiazol-2-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710161
1-(1,3-Thiazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 112641416
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047371
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid
CID 122048430
4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoic acid
CID 122058478
3-[Methyl-[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 122059333
(3S,4S)-4-(trifluoromethyl)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid
CID 122063706

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid (CID 122052587) is 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is WFZZWUYPGJNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-9(7(16)17)2-3-15(5-9)8-14-4-6(18-8)10(11,12)13/h4H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).