4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C14H19N3O2S — CID 80691354

IUPAC4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3(C)CCCCO3)no2)c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-11(15)10(8)12-16-13(17-19-12)14(3)6-4-5-7-18-14/h4-7,15H2,1-3H3
InChIKeyIQSGTFQBFYMPBM-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.41
Rot. Bonds2

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

4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 80691354) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID80691354
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3(C)CCCCO3)no2)c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-11(15)10(8)12-16-13(17-19-12)14(3)6-4-5-7-18-14/h4-7,15H2,1-3H3
InChIKeyIQSGTFQBFYMPBM-UHFFFAOYSA-N
XLogP3.41
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine with MolForge

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Related Compounds

3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743065
2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 80691509
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
4,5-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43099726
[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440197
2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712766
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 103999555

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 80691354) is 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1sc(N)c(-c2nc(C3(C)CCCCO3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is IQSGTFQBFYMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-9(2)20-11(15)10(8)12-16-13(17-19-12)14(3)6-4-5-7-18-14/h4-7,15H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 293.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 80691354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).