5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C9H11N5OS — CID 65198752

IUPAC5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1nnsc1-c1nc(C2CCCN2)no1
InChIInChI=1S/C9H11N5OS/c1-5-7(16-14-12-5)9-11-8(13-15-9)6-3-2-4-10-6/h6,10H,2-4H2,1H3
InChIKeyRQGGXYFXDALAOH-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.32
Rot. Bonds2

About 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 65198752) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID65198752
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1nnsc1-c1nc(C2CCCN2)no1
InChIInChI=1S/C9H11N5OS/c1-5-7(16-14-12-5)9-11-8(13-15-9)6-3-2-4-10-6/h6,10H,2-4H2,1H3
InChIKeyRQGGXYFXDALAOH-UHFFFAOYSA-N
XLogP1.32
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 65198752) is 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is Cc1nnsc1-c1nc(C2CCCN2)no1.
What is the InChIKey of 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is RQGGXYFXDALAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-7(16-14-12-5)9-11-8(13-15-9)6-3-2-4-10-6/h6,10H,2-4H2,1H3.
What are the key properties of 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 237.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiadiazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 65198752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).