N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide

C14H17N3O2S — CID 62115980

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
SMILESNc1ccc2nc(NC(=O)CCOC3CCC3)sc2c1
InChIInChI=1S/C14H17N3O2S/c15-9-4-5-11-12(8-9)20-14(16-11)17-13(18)6-7-19-10-2-1-3-10/h4-5,8,10H,1-3,6-7,15H2,(H,16,17,18)
InChIKeyZTEGQBBORXZLFN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.78
Rot. Bonds5

About N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide

N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide (PubChem CID 62115980) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
PubChem CID62115980
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
SMILESNc1ccc2nc(NC(=O)CCOC3CCC3)sc2c1
InChIInChI=1S/C14H17N3O2S/c15-9-4-5-11-12(8-9)20-14(16-11)17-13(18)6-7-19-10-2-1-3-10/h4-5,8,10H,1-3,6-7,15H2,(H,16,17,18)
InChIKeyZTEGQBBORXZLFN-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
CID 28535611
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161486
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60974238
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824
N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
CID 63115305
N-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropanamide
CID 29295136
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43081339
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858
N-(6-amino-1,3-benzothiazol-2-yl)-2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 63693372

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide (CID 62115980) is N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide is Nc1ccc2nc(NC(=O)CCOC3CCC3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide?
The InChIKey is ZTEGQBBORXZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-9-4-5-11-12(8-9)20-14(16-11)17-13(18)6-7-19-10-2-1-3-10/h4-5,8,10H,1-3,6-7,15H2,(H,16,17,18).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide has a molecular weight of 291.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide is sourced from PubChem (CID 62115980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).