1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C8H11N5OS — CID 65198535

IUPAC1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2snnc2C)n1
InChIInChI=1S/C8H11N5OS/c1-3-5(9)7-10-8(14-12-7)6-4(2)11-13-15-6/h5H,3,9H2,1-2H3
InChIKeyRVOHRMRBXSPZIF-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.31
Rot. Bonds3

About 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 65198535) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID65198535
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2snnc2C)n1
InChIInChI=1S/C8H11N5OS/c1-3-5(9)7-10-8(14-12-7)6-4(2)11-13-15-6/h5H,3,9H2,1-2H3
InChIKeyRVOHRMRBXSPZIF-UHFFFAOYSA-N
XLogP1.31
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 65198535) is 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(-c2snnc2C)n1.
What is the InChIKey of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is RVOHRMRBXSPZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-3-5(9)7-10-8(14-12-7)6-4(2)11-13-15-6/h5H,3,9H2,1-2H3.
What are the key properties of 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 65198535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).