5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine

C8H9N3OS — CID 23463074

IUPAC5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)c(-c2nnc(N)s2)o1
InChIInChI=1S/C8H9N3OS/c1-4-3-5(2)12-6(4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKeyVIDSRYJSILWXPB-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.00
Rot. Bonds1

About 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine

5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 23463074) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID23463074
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)c(-c2nnc(N)s2)o1
InChIInChI=1S/C8H9N3OS/c1-4-3-5(2)12-6(4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKeyVIDSRYJSILWXPB-UHFFFAOYSA-N
XLogP2.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine (CID 23463074) is 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine is Cc1cc(C)c(-c2nnc(N)s2)o1.
What is the InChIKey of 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VIDSRYJSILWXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-3-5(2)12-6(4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11).
What are the key properties of 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine?
5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylfuran-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23463074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).