N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine

C17H18N4OS — CID 147217616

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
SMILESCc1ccc2nc(NC3=NCC4(CN5CCC56CC46)O3)sc2c1
InChIInChI=1S/C17H18N4OS/c1-10-2-3-11-12(6-10)23-15(19-11)20-14-18-8-17(22-14)9-21-5-4-16(21)7-13(16)17/h2-3,6,13H,4-5,7-9H2,1H3,(H,18,19,20)
InChIKeyCGKXKSRGALTOKO-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.62
Rot. Bonds1

About N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine

N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine (PubChem CID 147217616) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
PubChem CID147217616
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
SMILESCc1ccc2nc(NC3=NCC4(CN5CCC56CC46)O3)sc2c1
InChIInChI=1S/C17H18N4OS/c1-10-2-3-11-12(6-10)23-15(19-11)20-14-18-8-17(22-14)9-21-5-4-16(21)7-13(16)17/h2-3,6,13H,4-5,7-9H2,1H3,(H,18,19,20)
InChIKeyCGKXKSRGALTOKO-UHFFFAOYSA-N
XLogP2.62
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine with MolForge

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Related Compounds

N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
CID 123904311
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134145411
N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088161
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
(1S,3S,4S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylspiro[1-azoniabicyclo[2.2.1]heptane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58486517
CID 58088189
CID 58088189
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
[2'-[[6-[tert-butyl(dimethyl)silyl]oxy-1,3-benzothiazol-2-yl]amino]spiro[1-azoniabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-1-yl]boranuide
CID 137329712
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
2,2-dimethyl-5-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methylidene]-1,3-dioxane-4,6-dione
CID 18525258
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine (CID 147217616) is N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine is Cc1ccc2nc(NC3=NCC4(CN5CCC56CC46)O3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
The InChIKey is CGKXKSRGALTOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-2-3-11-12(6-10)23-15(19-11)20-14-18-8-17(22-14)9-21-5-4-16(21)7-13(16)17/h2-3,6,13H,4-5,7-9H2,1H3,(H,18,19,20).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine?
N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine has a molecular weight of 326.43 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine is sourced from PubChem (CID 147217616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).