4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C14H14N4OS — CID 63555394

IUPAC4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cccc(-c2noc(-c3c(N)sc(C)c3C)n2)n1
InChIInChI=1S/C14H14N4OS/c1-7-5-4-6-10(16-7)13-17-14(19-18-13)11-8(2)9(3)20-12(11)15/h4-6H,15H2,1-3H3
InChIKeyJALUPNIEWZZBOV-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.37
Rot. Bonds2

About 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63555394) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63555394
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cccc(-c2noc(-c3c(N)sc(C)c3C)n2)n1
InChIInChI=1S/C14H14N4OS/c1-7-5-4-6-10(16-7)13-17-14(19-18-13)11-8(2)9(3)20-12(11)15/h4-6H,15H2,1-3H3
InChIKeyJALUPNIEWZZBOV-UHFFFAOYSA-N
XLogP3.37
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43109078
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43514782
2,3-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261140
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43329946
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974
4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392883
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797987
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63555394) is 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1cccc(-c2noc(-c3c(N)sc(C)c3C)n2)n1.
What is the InChIKey of 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is JALUPNIEWZZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-7-5-4-6-10(16-7)13-17-14(19-18-13)11-8(2)9(3)20-12(11)15/h4-6H,15H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 286.36 g/mol, XLogP of 3.37, 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-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63555394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).