3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole

C16H12FN5OS2 — CID 167518363

IUPAC3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESCc1csc(-c2nc(-c3cc(-c4cnc(C)s4)c(F)c(C)n3)no2)n1
InChIInChI=1S/C16H12FN5OS2/c1-7-6-24-16(19-7)15-21-14(22-23-15)11-4-10(13(17)8(2)20-11)12-5-18-9(3)25-12/h4-6H,1-3H3
InChIKeyYKEJJLJHBUVQOX-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.44
Rot. Bonds3

About 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole

3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 167518363) has the molecular formula C16H12FN5OS2 and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
PubChem CID167518363
Molecular FormulaC16H12FN5OS2
Molecular Weight373.44 g/mol
Exact Mass373.05
IUPAC Name3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESCc1csc(-c2nc(-c3cc(-c4cnc(C)s4)c(F)c(C)n3)no2)n1
InChIInChI=1S/C16H12FN5OS2/c1-7-6-24-16(19-7)15-21-14(22-23-15)11-4-10(13(17)8(2)20-11)12-5-18-9(3)25-12/h4-6H,1-3H3
InChIKeyYKEJJLJHBUVQOX-UHFFFAOYSA-N
XLogP4.44
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (CID 167518363) is 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is Cc1csc(-c2nc(-c3cc(-c4cnc(C)s4)c(F)c(C)n3)no2)n1.
What is the InChIKey of 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is YKEJJLJHBUVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS2/c1-7-6-24-16(19-7)15-21-14(22-23-15)11-4-10(13(17)8(2)20-11)12-5-18-9(3)25-12/h4-6H,1-3H3.
What are the key properties of 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 373.44 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167518363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).