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

C10H10N6OS — CID 43096346

IUPAC4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(-c3ncn[nH]3)no2)c1C
InChIInChI=1S/C10H10N6OS/c1-4-5(2)18-7(11)6(4)10-14-9(16-17-10)8-12-3-13-15-8/h3H,11H2,1-2H3,(H,12,13,15)
InChIKeyRUGUCFUIYZXVHF-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.78
Rot. Bonds2

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

4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 43096346) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID43096346
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(-c3ncn[nH]3)no2)c1C
InChIInChI=1S/C10H10N6OS/c1-4-5(2)18-7(11)6(4)10-14-9(16-17-10)8-12-3-13-15-8/h3H,11H2,1-2H3,(H,12,13,15)
InChIKeyRUGUCFUIYZXVHF-UHFFFAOYSA-N
XLogP1.78
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 43096346) is 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1sc(N)c(-c2nc(-c3ncn[nH]3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is RUGUCFUIYZXVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-4-5(2)18-7(11)6(4)10-14-9(16-17-10)8-12-3-13-15-8/h3H,11H2,1-2H3,(H,12,13,15).
What are the key properties of 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 262.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 43096346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).