5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

C12H7F3N4O2S — CID 166216145

IUPAC5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCc1nc(C(F)(F)F)sc1-c1nc(-c2ccc(=O)[nH]c2)no1
InChIInChI=1S/C12H7F3N4O2S/c1-5-8(22-11(17-5)12(13,14)15)10-18-9(19-21-10)6-2-3-7(20)16-4-6/h2-4H,1H3,(H,16,20)
InChIKeyYTWSPFGCNYWXOA-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.88
Rot. Bonds2

About 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 166216145) has the molecular formula C12H7F3N4O2S and a molecular weight of 328.28 g/mol. Its IUPAC name is 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID166216145
Molecular FormulaC12H7F3N4O2S
Molecular Weight328.28 g/mol
Exact Mass328.02
IUPAC Name5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCc1nc(C(F)(F)F)sc1-c1nc(-c2ccc(=O)[nH]c2)no1
InChIInChI=1S/C12H7F3N4O2S/c1-5-8(22-11(17-5)12(13,14)15)10-18-9(19-21-10)6-2-3-7(20)16-4-6/h2-4H,1H3,(H,16,20)
InChIKeyYTWSPFGCNYWXOA-UHFFFAOYSA-N
XLogP2.88
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 166216145) is 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is Cc1nc(C(F)(F)F)sc1-c1nc(-c2ccc(=O)[nH]c2)no1.
What is the InChIKey of 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is YTWSPFGCNYWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2S/c1-5-8(22-11(17-5)12(13,14)15)10-18-9(19-21-10)6-2-3-7(20)16-4-6/h2-4H,1H3,(H,16,20).
What are the key properties of 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 328.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166216145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).