4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

C12H16N4O2S — CID 116807514

IUPAC4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(N3CCOCC3)no2)c1C
InChIInChI=1S/C12H16N4O2S/c1-7-8(2)19-10(13)9(7)11-14-12(15-18-11)16-3-5-17-6-4-16/h3-6,13H2,1-2H3
InChIKeyGLTXGFGEWIJNKR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.83
Rot. Bonds2

About 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (PubChem CID 116807514) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
PubChem CID116807514
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(N3CCOCC3)no2)c1C
InChIInChI=1S/C12H16N4O2S/c1-7-8(2)19-10(13)9(7)11-14-12(15-18-11)16-3-5-17-6-4-16/h3-6,13H2,1-2H3
InChIKeyGLTXGFGEWIJNKR-UHFFFAOYSA-N
XLogP1.83
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807548
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116808104
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
5,6-dimethyl-2-morpholin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 14639124
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 116806756
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807492
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807469
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 147324404
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
[1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 116807476

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (CID 116807514) is 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is Cc1sc(N)c(-c2nc(N3CCOCC3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The InChIKey is GLTXGFGEWIJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-8(2)19-10(13)9(7)11-14-12(15-18-11)16-3-5-17-6-4-16/h3-6,13H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is sourced from PubChem (CID 116807514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).