5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C13H14N4O2S — CID 86790717

IUPAC5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1csc(CNc2nnc(-c3cc(C)oc3C)o2)n1
InChIInChI=1S/C13H14N4O2S/c1-7-6-20-11(15-7)5-14-13-17-16-12(19-13)10-4-8(2)18-9(10)3/h4,6H,5H2,1-3H3,(H,14,17)
InChIKeyRVZCUYLYMDJKTQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.32
Rot. Bonds4

About 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86790717) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86790717
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1csc(CNc2nnc(-c3cc(C)oc3C)o2)n1
InChIInChI=1S/C13H14N4O2S/c1-7-6-20-11(15-7)5-14-13-17-16-12(19-13)10-4-8(2)18-9(10)3/h4,6H,5H2,1-3H3,(H,14,17)
InChIKeyRVZCUYLYMDJKTQ-UHFFFAOYSA-N
XLogP3.32
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86790717) is 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1csc(CNc2nnc(-c3cc(C)oc3C)o2)n1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RVZCUYLYMDJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7-6-20-11(15-7)5-14-13-17-16-12(19-13)10-4-8(2)18-9(10)3/h4,6H,5H2,1-3H3,(H,14,17).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 290.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).