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

C12H16N4OS — CID 120855315

IUPAC1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CCc3cscn3)n2)CCCC1
InChIInChI=1S/C12H16N4OS/c13-12(5-1-2-6-12)11-15-10(17-16-11)4-3-9-7-18-8-14-9/h7-8H,1-6,13H2
InChIKeyOKYXBOFQKJCSSJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.04
Rot. Bonds4

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

1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120855315) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120855315
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(CCc3cscn3)n2)CCCC1
InChIInChI=1S/C12H16N4OS/c13-12(5-1-2-6-12)11-15-10(17-16-11)4-3-9-7-18-8-14-9/h7-8H,1-6,13H2
InChIKeyOKYXBOFQKJCSSJ-UHFFFAOYSA-N
XLogP2.04
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 100677041
1-[5-[2-(4-chlorothiophen-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852675
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852115
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862931
1-[5-[2-(1,3-benzoxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853951

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120855315) is 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(CCc3cscn3)n2)CCCC1.
What is the InChIKey of 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is OKYXBOFQKJCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c13-12(5-1-2-6-12)11-15-10(17-16-11)4-3-9-7-18-8-14-9/h7-8H,1-6,13H2.
What are the key properties of 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 264.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120855315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).