4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C9H11F3N2S — CID 104853425

IUPAC4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)4-8-14-7(5-15-8)6-2-1-3-13-6/h5-6,13H,1-4H2/t6-/m0/s1
InChIKeyYLQVHEIOULZIPW-LURJTMIESA-N
MW236.26 g/mol
LogP2.67
Rot. Bonds2

About 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 104853425) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID104853425
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)4-8-14-7(5-15-8)6-2-1-3-13-6/h5-6,13H,1-4H2/t6-/m0/s1
InChIKeyYLQVHEIOULZIPW-LURJTMIESA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 104928834
4-pyrrolidin-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazole
CID 114456941
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-propyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853422
2-(methoxymethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 95430246
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477119
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 104853425) is 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is YLQVHEIOULZIPW-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)4-8-14-7(5-15-8)6-2-1-3-13-6/h5-6,13H,1-4H2/t6-/m0/s1.
What are the key properties of 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 236.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 104853425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).