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

C12H7F3N4OS — CID 138680272

IUPAC3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)cs1
InChIInChI=1S/C12H7F3N4OS/c1-6-17-9(5-21-6)8-4-7(2-3-16-8)10-18-11(20-19-10)12(13,14)15/h2-5H,1H3
InChIKeyPKYGTSXLNWUOLH-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.58
Rot. Bonds2

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

3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 138680272) has the molecular formula C12H7F3N4OS and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID138680272
Molecular FormulaC12H7F3N4OS
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC Name3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)cs1
InChIInChI=1S/C12H7F3N4OS/c1-6-17-9(5-21-6)8-4-7(2-3-16-8)10-18-11(20-19-10)12(13,14)15/h2-5H,1H3
InChIKeyPKYGTSXLNWUOLH-UHFFFAOYSA-N
XLogP3.58
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(5-{[(4-Methylphenyl)thio]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 974714
US11066396, Example 394
CID 132258680
US11066396, Example 433
CID 132258774
(2S)-2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanamide
CID 139269448
2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide
CID 139269517
2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]-N-[2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]acetamide
CID 139269522
5-Methyl-3-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746073
3-Methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 45865681
3-Benzyl-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 45887305
5-Methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 47014387
(2,4-Dimethylthiazol-5-yl)(4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazin-1-yl)methanone
CID 49702301
N-methyl-1-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-(3-thienylmethyl)methanamine
CID 70739457

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 138680272) is 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1nc(-c2cc(-c3noc(C(F)(F)F)n3)ccn2)cs1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is PKYGTSXLNWUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4OS/c1-6-17-9(5-21-6)8-4-7(2-3-16-8)10-18-11(20-19-10)12(13,14)15/h2-5H,1H3.
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 312.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138680272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).