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

C13H19N5OS — CID 65207366

IUPAC1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCCc1nnsc1-c1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C13H19N5OS/c1-3-9-10(20-18-16-9)11-15-12(17-19-11)13(14)6-4-8(2)5-7-13/h8H,3-7,14H2,1-2H3
InChIKeyWDKYWPAIDZYKSA-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.51
Rot. Bonds3

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

1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 65207366) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID65207366
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCCc1nnsc1-c1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C13H19N5OS/c1-3-9-10(20-18-16-9)11-15-12(17-19-11)13(14)6-4-8(2)5-7-13/h8H,3-7,14H2,1-2H3
InChIKeyWDKYWPAIDZYKSA-UHFFFAOYSA-N
XLogP2.51
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353317
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 65207516
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65207878
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353321
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 80642521
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 65207366) is 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is CCc1nnsc1-c1nc(C2(N)CCC(C)CC2)no1.
What is the InChIKey of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is WDKYWPAIDZYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-9-10(20-18-16-9)11-15-12(17-19-11)13(14)6-4-8(2)5-7-13/h8H,3-7,14H2,1-2H3.
What are the key properties of 1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 293.40 g/mol, XLogP of 2.51, 3 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]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65207366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).