4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C13H18N4OS — CID 63023402

IUPAC4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(-c3cscn3)n2)CC1
InChIInChI=1S/C13H18N4OS/c1-2-9-3-5-13(14,6-4-9)12-16-11(18-17-12)10-7-19-8-15-10/h7-9H,2-6,14H2,1H3
InChIKeyNQRNLGRBHPSQHL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.95
Rot. Bonds3

About 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 63023402) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID63023402
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2noc(-c3cscn3)n2)CC1
InChIInChI=1S/C13H18N4OS/c1-2-9-3-5-13(14,6-4-9)12-16-11(18-17-12)10-7-19-8-15-10/h7-9H,2-6,14H2,1H3
InChIKeyNQRNLGRBHPSQHL-UHFFFAOYSA-N
XLogP2.95
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine with MolForge

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Related Compounds

4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353339
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 80642521
4-ethyl-1-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 114822750
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 62276141
1-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 83148343
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
4-ethyl-1-[5-(thian-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 83138229
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63022879
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 63023402) is 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CCC1CCC(N)(c2noc(-c3cscn3)n2)CC1.
What is the InChIKey of 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is NQRNLGRBHPSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-9-3-5-13(14,6-4-9)12-16-11(18-17-12)10-7-19-8-15-10/h7-9H,2-6,14H2,1H3.
What are the key properties of 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 278.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 63023402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).