4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine

C12H16N4OS2 — CID 103594952

IUPAC4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1csc(-c2nc(C3CSCCN3C)no2)c1N
InChIInChI=1S/C12H16N4OS2/c1-7-5-19-10(9(7)13)12-14-11(15-17-12)8-6-18-4-3-16(8)2/h5,8H,3-4,6,13H2,1-2H3
InChIKeyOAKMKGMSEDOSMG-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.41
Rot. Bonds2

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

4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (PubChem CID 103594952) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
PubChem CID103594952
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
SMILESCc1csc(-c2nc(C3CSCCN3C)no2)c1N
InChIInChI=1S/C12H16N4OS2/c1-7-5-19-10(9(7)13)12-14-11(15-17-12)8-6-18-4-3-16(8)2/h5,8H,3-4,6,13H2,1-2H3
InChIKeyOAKMKGMSEDOSMG-UHFFFAOYSA-N
XLogP2.41
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-6-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594888
4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594731
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751355
5-ethyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103594965
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503486
4-[3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 103594743
5-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790083
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136693108
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915948

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The IUPAC name of 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine (CID 103594952) is 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine.
What is the SMILES notation for 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The canonical SMILES for 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is Cc1csc(-c2nc(C3CSCCN3C)no2)c1N.
What is the InChIKey of 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
The InChIKey is OAKMKGMSEDOSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-7-5-19-10(9(7)13)12-14-11(15-17-12)8-6-18-4-3-16(8)2/h5,8H,3-4,6,13H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine?
4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine is sourced from PubChem (CID 103594952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).