5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine

C7H7N3OS — CID 2812029

IUPAC5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccco2)s1
InChIInChI=1S/C7H7N3OS/c1-8-7-10-9-6(12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,10)
InChIKeyQPNKKRHSYLYLDX-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.84
Rot. Bonds2

About 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 2812029) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID2812029
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccco2)s1
InChIInChI=1S/C7H7N3OS/c1-8-7-10-9-6(12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,10)
InChIKeyQPNKKRHSYLYLDX-UHFFFAOYSA-N
XLogP1.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 2812029) is 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2ccco2)s1.
What is the InChIKey of 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QPNKKRHSYLYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-8-7-10-9-6(12-7)5-3-2-4-11-5/h2-4H,1H3,(H,8,10).
What are the key properties of 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 181.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2812029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).