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

C13H12N4O2S — CID 66379358

IUPAC[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(-c2noc(-c3csc(CN)n3)n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-18-9-4-2-8(3-5-9)12-16-13(19-17-12)10-7-20-11(6-14)15-10/h2-5,7H,6,14H2,1H3
InChIKeyPWTVKMUYUUYJHZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.33
Rot. Bonds4

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

[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 66379358) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID66379358
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc(-c2noc(-c3csc(CN)n3)n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-18-9-4-2-8(3-5-9)12-16-13(19-17-12)10-7-20-11(6-14)15-10/h2-5,7H,6,14H2,1H3
InChIKeyPWTVKMUYUUYJHZ-UHFFFAOYSA-N
XLogP2.33
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 66379358) is [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is COc1ccc(-c2noc(-c3csc(CN)n3)n2)cc1.
What is the InChIKey of [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is PWTVKMUYUUYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-18-9-4-2-8(3-5-9)12-16-13(19-17-12)10-7-20-11(6-14)15-10/h2-5,7H,6,14H2,1H3.
What are the key properties of [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 288.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66379358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).