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

C12H16N4O3S — CID 116742002

IUPAC4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOC1(c2noc(-c3c(C)nsc3N)n2)CCOCC1
InChIInChI=1S/C12H16N4O3S/c1-7-8(9(13)20-16-7)10-14-11(15-19-10)12(17-2)3-5-18-6-4-12/h3-6,13H2,1-2H3
InChIKeyCSUVNMUNFGVSTM-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.74
Rot. Bonds3

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

4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 116742002) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID116742002
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOC1(c2noc(-c3c(C)nsc3N)n2)CCOCC1
InChIInChI=1S/C12H16N4O3S/c1-7-8(9(13)20-16-7)10-14-11(15-19-10)12(17-2)3-5-18-6-4-12/h3-6,13H2,1-2H3
InChIKeyCSUVNMUNFGVSTM-UHFFFAOYSA-N
XLogP1.74
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Related Compounds

3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742047
[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116742170
2-chloro-5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741984
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904298
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116703323
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylquinolin-6-ol
CID 136575370
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904541
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 116742002) is 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is COC1(c2noc(-c3c(C)nsc3N)n2)CCOCC1.
What is the InChIKey of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is CSUVNMUNFGVSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-8(9(13)20-16-7)10-14-11(15-19-10)12(17-2)3-5-18-6-4-12/h3-6,13H2,1-2H3.
What are the key properties of 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 296.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 116742002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).