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

C13H12N4OS — CID 66381486

IUPAC[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1cccc(-c2noc(-c3csc(CN)n3)n2)c1
InChIInChI=1S/C13H12N4OS/c1-8-3-2-4-9(5-8)12-16-13(18-17-12)10-7-19-11(6-14)15-10/h2-5,7H,6,14H2,1H3
InChIKeyWIXWOGXQWUKYSL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.63
Rot. Bonds3

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

[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 66381486) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID66381486
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1cccc(-c2noc(-c3csc(CN)n3)n2)c1
InChIInChI=1S/C13H12N4OS/c1-8-3-2-4-9(5-8)12-16-13(18-17-12)10-7-19-11(6-14)15-10/h2-5,7H,6,14H2,1H3
InChIKeyWIXWOGXQWUKYSL-UHFFFAOYSA-N
XLogP2.63
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 66381486) is [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is Cc1cccc(-c2noc(-c3csc(CN)n3)n2)c1.
What is the InChIKey of [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is WIXWOGXQWUKYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-3-2-4-9(5-8)12-16-13(18-17-12)10-7-19-11(6-14)15-10/h2-5,7H,6,14H2,1H3.
What are the key properties of [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 272.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66381486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).