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

C12H16ClN3OS2 — CID 120853558

IUPAC1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCSc1ccsc1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C12H15N3OS2.ClH/c1-17-8-4-7-18-9(8)10-14-11(15-16-10)12(13)5-2-3-6-12;/h4,7H,2-3,5-6,13H2,1H3;1H
InChIKeyPVWRLXDGZBNQIT-UHFFFAOYSA-N
MW317.87 g/mol
LogP3.67
Rot. Bonds3

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

1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120853558) has the molecular formula C12H16ClN3OS2 and a molecular weight of 317.87 g/mol. Its IUPAC name is 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120853558
Molecular FormulaC12H16ClN3OS2
Molecular Weight317.87 g/mol
Exact Mass317.04
IUPAC Name1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCSc1ccsc1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C12H15N3OS2.ClH/c1-17-8-4-7-18-9(8)10-14-11(15-16-10)12(13)5-2-3-6-12;/h4,7H,2-3,5-6,13H2,1H3;1H
InChIKeyPVWRLXDGZBNQIT-UHFFFAOYSA-N
XLogP3.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351704
1-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862526
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 80642521
1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857026
1-[5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853560
1-[5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862016
1-[5-(4-methylsulfanyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862660
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65198755
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 55132350
1-[5-(4-tert-butyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863141

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120853558) is 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CSc1ccsc1-c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is PVWRLXDGZBNQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2.ClH/c1-17-8-4-7-18-9(8)10-14-11(15-16-10)12(13)5-2-3-6-12;/h4,7H,2-3,5-6,13H2,1H3;1H.
What are the key properties of 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 317.87 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylsulfanylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120853558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).