5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole

C8H9F3N2S — CID 106784098

IUPAC5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CCCN2)s1
InChIInChI=1S/C8H9F3N2S/c9-8(10,11)7-13-4-6(14-7)5-2-1-3-12-5/h4-5,12H,1-3H2
InChIKeySXVOBDDVRUZYAM-UHFFFAOYSA-N
MW222.23 g/mol
LogP2.59
Rot. Bonds1

About 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole

5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784098) has the molecular formula C8H9F3N2S and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784098
Molecular FormulaC8H9F3N2S
Molecular Weight222.23 g/mol
Exact Mass222.04
IUPAC Name5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2CCCN2)s1
InChIInChI=1S/C8H9F3N2S/c9-8(10,11)7-13-4-6(14-7)5-2-1-3-12-5/h4-5,12H,1-3H2
InChIKeySXVOBDDVRUZYAM-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole (CID 106784098) is 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2CCCN2)s1.
What is the InChIKey of 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SXVOBDDVRUZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S/c9-8(10,11)7-13-4-6(14-7)5-2-1-3-12-5/h4-5,12H,1-3H2.
What are the key properties of 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole?
5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 222.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).