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

C13H12N4OS — CID 79390914

IUPAC3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCc1ccccc1-c1noc(-c2c(C)nsc2N)n1
InChIInChI=1S/C13H12N4OS/c1-7-5-3-4-6-9(7)12-15-13(18-16-12)10-8(2)17-19-11(10)14/h3-6H,14H2,1-2H3
InChIKeyXPBZSJAGVKYAAV-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.06
Rot. Bonds2

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

3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (PubChem CID 79390914) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
PubChem CID79390914
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCc1ccccc1-c1noc(-c2c(C)nsc2N)n1
InChIInChI=1S/C13H12N4OS/c1-7-5-3-4-6-9(7)12-15-13(18-16-12)10-8(2)17-19-11(10)14/h3-6H,14H2,1-2H3
InChIKeyXPBZSJAGVKYAAV-UHFFFAOYSA-N
XLogP3.06
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (CID 79390914) is 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is Cc1ccccc1-c1noc(-c2c(C)nsc2N)n1.
What is the InChIKey of 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The InChIKey is XPBZSJAGVKYAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-5-3-4-6-9(7)12-15-13(18-16-12)10-8(2)17-19-11(10)14/h3-6H,14H2,1-2H3.
What are the key properties of 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine has a molecular weight of 272.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 79390914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).