4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

C12H9FN4OS — CID 81273589

IUPAC4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1-c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C12H9FN4OS/c1-6-4-7(13)2-3-8(6)10-16-11(18-17-10)9-5-19-12(14)15-9/h2-5H,1H3,(H2,14,15)
InChIKeyOHBTUTCDJKSIPB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.89
Rot. Bonds2

About 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 81273589) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID81273589
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC Name4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1-c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C12H9FN4OS/c1-6-4-7(13)2-3-8(6)10-16-11(18-17-10)9-5-19-12(14)15-9/h2-5H,1H3,(H2,14,15)
InChIKeyOHBTUTCDJKSIPB-UHFFFAOYSA-N
XLogP2.89
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 81273589) is 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Cc1cc(F)ccc1-c1noc(-c2csc(N)n2)n1.
What is the InChIKey of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is OHBTUTCDJKSIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c1-6-4-7(13)2-3-8(6)10-16-11(18-17-10)9-5-19-12(14)15-9/h2-5H,1H3,(H2,14,15).
What are the key properties of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 276.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81273589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).