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

C7H7N3OS — CID 23463065

IUPAC5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(N)s2)co1
InChIInChI=1S/C7H7N3OS/c1-4-2-5(3-11-4)6-9-10-7(8)12-6/h2-3H,1H3,(H2,8,10)
InChIKeyMUTUAXZIPGCVTJ-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.69
Rot. Bonds1

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

5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 23463065) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID23463065
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(-c2nnc(N)s2)co1
InChIInChI=1S/C7H7N3OS/c1-4-2-5(3-11-4)6-9-10-7(8)12-6/h2-3H,1H3,(H2,8,10)
InChIKeyMUTUAXZIPGCVTJ-UHFFFAOYSA-N
XLogP1.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine (CID 23463065) is 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine is Cc1cc(-c2nnc(N)s2)co1.
What is the InChIKey of 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MUTUAXZIPGCVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-4-2-5(3-11-4)6-9-10-7(8)12-6/h2-3H,1H3,(H2,8,10).
What are the key properties of 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine?
5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 181.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23463065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).