4-thiophen-2-yl-1,2,5-thiadiazol-3-amine

C6H5N3S2 — CID 11137787

IUPAC4-thiophen-2-yl-1,2,5-thiadiazol-3-amine
SMILESNc1nsnc1-c1cccs1
InChIInChI=1S/C6H5N3S2/c7-6-5(8-11-9-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKeyATUBFDZCXOULDS-UHFFFAOYSA-N
MW183.26 g/mol
LogP1.85
Rot. Bonds1

About 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine

4-thiophen-2-yl-1,2,5-thiadiazol-3-amine (PubChem CID 11137787) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-1,2,5-thiadiazol-3-amine
PubChem CID11137787
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name4-thiophen-2-yl-1,2,5-thiadiazol-3-amine
SMILESNc1nsnc1-c1cccs1
InChIInChI=1S/C6H5N3S2/c7-6-5(8-11-9-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKeyATUBFDZCXOULDS-UHFFFAOYSA-N
XLogP1.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine (CID 11137787) is 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine is Nc1nsnc1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine?
The InChIKey is ATUBFDZCXOULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c7-6-5(8-11-9-6)4-2-1-3-10-4/h1-3H,(H2,7,9).
What are the key properties of 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine?
4-thiophen-2-yl-1,2,5-thiadiazol-3-amine has a molecular weight of 183.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 11137787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).