6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride

C17H19ClN4O4S — CID 120851512

IUPAC6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)n2)CCCC1
InChIInChI=1S/C17H18N4O4S.ClH/c18-17(7-1-2-8-17)16-19-14(25-20-16)10-3-6-12-13(9-10)26(23,24)21(15(12)22)11-4-5-11;/h3,6,9,11H,1-2,4-5,7-8,18H2;1H
InChIKeyPABJZCUIWSIRLU-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.19
Rot. Bonds3

About 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride

6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride (PubChem CID 120851512) has the molecular formula C17H19ClN4O4S and a molecular weight of 410.88 g/mol. Its IUPAC name is 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride.

Molecular Properties

Compound Name6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
PubChem CID120851512
Molecular FormulaC17H19ClN4O4S
Molecular Weight410.88 g/mol
Exact Mass410.08
IUPAC Name6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)n2)CCCC1
InChIInChI=1S/C17H18N4O4S.ClH/c18-17(7-1-2-8-17)16-19-14(25-20-16)10-3-6-12-13(9-10)26(23,24)21(15(12)22)11-4-5-11;/h3,6,9,11H,1-2,4-5,7-8,18H2;1H
InChIKeyPABJZCUIWSIRLU-UHFFFAOYSA-N
XLogP2.19
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride with MolForge

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Related Compounds

6-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 120861352
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 120852858
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-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(5,5-dioxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 137031637
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852096

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride?
The IUPAC name of 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride (CID 120851512) is 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride.
What is the SMILES notation for 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride?
The canonical SMILES for 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride is Cl.NC1(c2noc(-c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)n2)CCCC1.
What is the InChIKey of 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride?
The InChIKey is PABJZCUIWSIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S.ClH/c18-17(7-1-2-8-17)16-19-14(25-20-16)10-3-6-12-13(9-10)26(23,24)21(15(12)22)11-4-5-11;/h3,6,9,11H,1-2,4-5,7-8,18H2;1H.
What are the key properties of 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride?
6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride has a molecular weight of 410.88 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-cyclopropyl-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride is sourced from PubChem (CID 120851512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).