5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine

C12H9FN4OS — CID 30029531

IUPAC5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(-c2ccccc2F)no1
InChIInChI=1S/C12H9FN4OS/c1-6-9(19-12(14)15-6)11-16-10(17-18-11)7-4-2-3-5-8(7)13/h2-5H,1H3,(H2,14,15)
InChIKeyCWWSKSWJQGFUDN-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.89
Rot. Bonds2

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

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 30029531) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID30029531
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC Name5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(-c2ccccc2F)no1
InChIInChI=1S/C12H9FN4OS/c1-6-9(19-12(14)15-6)11-16-10(17-18-11)7-4-2-3-5-8(7)13/h2-5H,1H3,(H2,14,15)
InChIKeyCWWSKSWJQGFUDN-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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Related Compounds

5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 106818781
4-methyl-5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 113454316
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715086
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519
5-(2-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834343
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
2-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62661065

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (CID 30029531) is 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(-c2ccccc2F)no1.
What is the InChIKey of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is CWWSKSWJQGFUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c1-6-9(19-12(14)15-6)11-16-10(17-18-11)7-4-2-3-5-8(7)13/h2-5H,1H3,(H2,14,15).
What are the key properties of 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-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 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 30029531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).