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

C12H10N4OS — CID 62786736

IUPAC4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C12H10N4OS/c1-7-4-2-3-5-8(7)10-15-11(17-16-10)9-6-18-12(13)14-9/h2-6H,1H3,(H2,13,14)
InChIKeyJRDKFFAEYRGRFB-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.75
Rot. Bonds2

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

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 62786736) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID62786736
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1ccccc1-c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C12H10N4OS/c1-7-4-2-3-5-8(7)10-15-11(17-16-10)9-6-18-12(13)14-9/h2-6H,1H3,(H2,13,14)
InChIKeyJRDKFFAEYRGRFB-UHFFFAOYSA-N
XLogP2.75
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 62786736) is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Cc1ccccc1-c1noc(-c2csc(N)n2)n1.
What is the InChIKey of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is JRDKFFAEYRGRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-4-2-3-5-8(7)10-15-11(17-16-10)9-6-18-12(13)14-9/h2-6H,1H3,(H2,13,14).
What are the key properties of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 258.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62786736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).