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

C4H3N5OS — CID 65214775

IUPAC5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2csnn2)o1
InChIInChI=1S/C4H3N5OS/c5-4-8-7-3(10-4)2-1-11-9-6-2/h1H,(H2,5,8)
InChIKeyXACXOUPOXPVERR-UHFFFAOYSA-N
MW169.17 g/mol
LogP0.17
Rot. Bonds1

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

5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 65214775) has the molecular formula C4H3N5OS and a molecular weight of 169.17 g/mol. Its IUPAC name is 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID65214775
Molecular FormulaC4H3N5OS
Molecular Weight169.17 g/mol
Exact Mass169.01
IUPAC Name5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2csnn2)o1
InChIInChI=1S/C4H3N5OS/c5-4-8-7-3(10-4)2-1-11-9-6-2/h1H,(H2,5,8)
InChIKeyXACXOUPOXPVERR-UHFFFAOYSA-N
XLogP0.17
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine (CID 65214775) is 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2csnn2)o1.
What is the InChIKey of 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XACXOUPOXPVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5OS/c5-4-8-7-3(10-4)2-1-11-9-6-2/h1H,(H2,5,8).
What are the key properties of 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 169.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 65214775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).