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

C17H12FN5OS — CID 167518354

IUPAC3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2cncc(F)c2)cc(-c2noc(-c3nc(C)cs3)n2)n1
InChIInChI=1S/C17H12FN5OS/c1-9-3-11(12-4-13(18)7-19-6-12)5-14(20-9)15-22-16(24-23-15)17-21-10(2)8-25-17/h3-8H,1-2H3
InChIKeyLDINHGFCPQRBAT-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.07
Rot. Bonds3

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

3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 167518354) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
PubChem CID167518354
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2cncc(F)c2)cc(-c2noc(-c3nc(C)cs3)n2)n1
InChIInChI=1S/C17H12FN5OS/c1-9-3-11(12-4-13(18)7-19-6-12)5-14(20-9)15-22-16(24-23-15)17-21-10(2)8-25-17/h3-8H,1-2H3
InChIKeyLDINHGFCPQRBAT-UHFFFAOYSA-N
XLogP4.07
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518460
4-(5-fluoro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820773
5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70494769
3-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 113452939
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-amine
CID 104786443
4-chloro-2-(5-fluoro-3-pyridinyl)-6-methylpyrimidine
CID 142460364
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104786429
5-(2-fluoro-4-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 136531235
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
4-(5-fluoro-3-pyridinyl)-6-methyl-N-phenylpyridine-2-carboxamide
CID 67162954

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (CID 167518354) is 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is Cc1cc(-c2cncc(F)c2)cc(-c2noc(-c3nc(C)cs3)n2)n1.
What is the InChIKey of 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is LDINHGFCPQRBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c1-9-3-11(12-4-13(18)7-19-6-12)5-14(20-9)15-22-16(24-23-15)17-21-10(2)8-25-17/h3-8H,1-2H3.
What are the key properties of 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 353.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167518354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).