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

C9H13N5OS — CID 65207878

IUPAC1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCc1nnsc1-c1nc(CC(C)N)no1
InChIInChI=1S/C9H13N5OS/c1-3-6-8(16-14-12-6)9-11-7(13-15-9)4-5(2)10/h5H,3-4,10H2,1-2H3
InChIKeyWDQJHAHDPPEDOV-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.04
Rot. Bonds4

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

1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 65207878) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID65207878
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCc1nnsc1-c1nc(CC(C)N)no1
InChIInChI=1S/C9H13N5OS/c1-3-6-8(16-14-12-6)9-11-7(13-15-9)4-5(2)10/h5H,3-4,10H2,1-2H3
InChIKeyWDQJHAHDPPEDOV-UHFFFAOYSA-N
XLogP1.04
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866179
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65207516
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635759
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 65207366
3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 65210064
1-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65206143
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
N-[[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65206379
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653412
1-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 66120373
N-methyl-2-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65206378

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 65207878) is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCc1nnsc1-c1nc(CC(C)N)no1.
What is the InChIKey of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is WDQJHAHDPPEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-3-6-8(16-14-12-6)9-11-7(13-15-9)4-5(2)10/h5H,3-4,10H2,1-2H3.
What are the key properties of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 239.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 65207878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).