1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

C11H17N5OS — CID 65207667

IUPAC1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCc1nnsc1-c1nc(C(N)CCC)no1
InChIInChI=1S/C11H17N5OS/c1-3-5-7(12)10-13-11(17-15-10)9-8(6-4-2)14-16-18-9/h7H,3-6,12H2,1-2H3
InChIKeyGOEATMMDTQXBGH-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.34
Rot. Bonds6

About 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine

1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 65207667) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID65207667
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCc1nnsc1-c1nc(C(N)CCC)no1
InChIInChI=1S/C11H17N5OS/c1-3-5-7(12)10-13-11(17-15-10)9-8(6-4-2)14-16-18-9/h7H,3-6,12H2,1-2H3
InChIKeyGOEATMMDTQXBGH-UHFFFAOYSA-N
XLogP2.34
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 65207667) is 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCc1nnsc1-c1nc(C(N)CCC)no1.
What is the InChIKey of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is GOEATMMDTQXBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-5-7(12)10-13-11(17-15-10)9-8(6-4-2)14-16-18-9/h7H,3-6,12H2,1-2H3.
What are the key properties of 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 65207667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).