4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C11H9F3N2S — CID 167449137

IUPAC4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(Cc2ccncc2)cs1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)6-10-16-9(7-17-10)5-8-1-3-15-4-2-8/h1-4,7H,5-6H2
InChIKeyYBVKZJCMZKHCRJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.23
Rot. Bonds3

About 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 167449137) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID167449137
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESFC(F)(F)Cc1nc(Cc2ccncc2)cs1
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)6-10-16-9(7-17-10)5-8-1-3-15-4-2-8/h1-4,7H,5-6H2
InChIKeyYBVKZJCMZKHCRJ-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 167449137) is 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is FC(F)(F)Cc1nc(Cc2ccncc2)cs1.
What is the InChIKey of 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is YBVKZJCMZKHCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)6-10-16-9(7-17-10)5-8-1-3-15-4-2-8/h1-4,7H,5-6H2.
What are the key properties of 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 258.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 167449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).