1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C11H13ClIN3OS — CID 120855437

IUPAC1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3csc(I)c3)n2)CCCC1
InChIInChI=1S/C11H12IN3OS.ClH/c12-8-5-7(6-17-8)9-14-10(15-16-9)11(13)3-1-2-4-11;/h5-6H,1-4,13H2;1H
InChIKeyLAPROKAFWKZHNA-UHFFFAOYSA-N
MW397.67 g/mol
LogP3.55
Rot. Bonds2

About 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855437) has the molecular formula C11H13ClIN3OS and a molecular weight of 397.67 g/mol. Its IUPAC name is 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120855437
Molecular FormulaC11H13ClIN3OS
Molecular Weight397.67 g/mol
Exact Mass396.95
IUPAC Name1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3csc(I)c3)n2)CCCC1
InChIInChI=1S/C11H12IN3OS.ClH/c12-8-5-7(6-17-8)9-14-10(15-16-9)11(13)3-1-2-4-11;/h5-6H,1-4,13H2;1H
InChIKeyLAPROKAFWKZHNA-UHFFFAOYSA-N
XLogP3.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864420
1-[5-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853372
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857385
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856801
1-[5-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854176
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855437) is 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(-c3csc(I)c3)n2)CCCC1.
What is the InChIKey of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is LAPROKAFWKZHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3OS.ClH/c12-8-5-7(6-17-8)9-14-10(15-16-9)11(13)3-1-2-4-11;/h5-6H,1-4,13H2;1H.
What are the key properties of 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 397.67 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).