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

C10H15N5OS — CID 120866179

IUPAC1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCc1nnsc1-c1nc(CC(C)NC)no1
InChIInChI=1S/C10H15N5OS/c1-4-7-9(17-15-13-7)10-12-8(14-16-10)5-6(2)11-3/h6,11H,4-5H2,1-3H3
InChIKeySWFWQDFMYYMGBS-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.30
Rot. Bonds5

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

1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866179) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866179
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCc1nnsc1-c1nc(CC(C)NC)no1
InChIInChI=1S/C10H15N5OS/c1-4-7-9(17-15-13-7)10-12-8(14-16-10)5-6(2)11-3/h6,11H,4-5H2,1-3H3
InChIKeySWFWQDFMYYMGBS-UHFFFAOYSA-N
XLogP1.30
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.30
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]propan-2-amine
CID 65207878
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65207516
N-methyl-1-[5-(3-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868338
N-methyl-2-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65206378
N-[[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65206379
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635759
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
1-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867444
N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65207581
1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865361
1-[5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867019
N-methyl-1-[5-(3-methylbut-2-en-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869537

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866179) is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CCc1nnsc1-c1nc(CC(C)NC)no1.
What is the InChIKey of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is SWFWQDFMYYMGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-4-7-9(17-15-13-7)10-12-8(14-16-10)5-6(2)11-3/h6,11H,4-5H2,1-3H3.
What are the key properties of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 253.33 g/mol, XLogP of 1.30, 5 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]-N-methylpropan-2-amine is sourced from PubChem (CID 120866179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).