5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole

C18H11F3N4OS — CID 2746073

IUPAC5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3csc(-c4cnccc4C(F)(F)F)n3)cc2)no1
InChIInChI=1S/C18H11F3N4OS/c1-10-23-16(25-26-10)12-4-2-11(3-5-12)15-9-27-17(24-15)13-8-22-7-6-14(13)18(19,20)21/h2-9H,1H3
InChIKeyVDSNGTJZTKGHEI-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.25
Rot. Bonds3

About 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole

5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 2746073) has the molecular formula C18H11F3N4OS and a molecular weight of 388.37 g/mol. Its IUPAC name is 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
PubChem CID2746073
Molecular FormulaC18H11F3N4OS
Molecular Weight388.37 g/mol
Exact Mass388.06
IUPAC Name5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3csc(-c4cnccc4C(F)(F)F)n3)cc2)no1
InChIInChI=1S/C18H11F3N4OS/c1-10-23-16(25-26-10)12-4-2-11(3-5-12)15-9-27-17(24-15)13-8-22-7-6-14(13)18(19,20)21/h2-9H,1H3
InChIKeyVDSNGTJZTKGHEI-UHFFFAOYSA-N
XLogP5.25
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole (CID 2746073) is 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3csc(-c4cnccc4C(F)(F)F)n3)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is VDSNGTJZTKGHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4OS/c1-10-23-16(25-26-10)12-4-2-11(3-5-12)15-9-27-17(24-15)13-8-22-7-6-14(13)18(19,20)21/h2-9H,1H3.
What are the key properties of 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 388.37 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2746073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).