N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H23N3O2S — CID 155958881

IUPACN-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1nsc2ccccc12)C1CNCC12CCOCC2
InChIInChI=1S/C18H23N3O2S/c22-17(14-11-19-12-18(14)6-9-23-10-7-18)20-8-5-15-13-3-1-2-4-16(13)24-21-15/h1-4,14,19H,5-12H2,(H,20,22)
InChIKeyCXQLJSFAHWDCFB-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155958881) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID155958881
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1nsc2ccccc12)C1CNCC12CCOCC2
InChIInChI=1S/C18H23N3O2S/c22-17(14-11-19-12-18(14)6-9-23-10-7-18)20-8-5-15-13-3-1-2-4-16(13)24-21-15/h1-4,14,19H,5-12H2,(H,20,22)
InChIKeyCXQLJSFAHWDCFB-UHFFFAOYSA-N
XLogP1.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 166261564
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-2-oxa-8-azaspiro[4.5]decane-6-carboxamide
CID 154868234
N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 138011170
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 167882397
4-(1,2-benzothiazol-3-yl)butanoic acid
CID 22012272
4-(1,2-benzothiazol-3-yl)butan-1-ol
CID 22012183
2-(1,2-benzothiazol-3-yl)-N-methylacetamide
CID 821850
N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
1-(1,2-benzothiazol-3-yl)-3-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)urea
CID 167958131

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 155958881) is N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCc1nsc2ccccc12)C1CNCC12CCOCC2.
What is the InChIKey of N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is CXQLJSFAHWDCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-17(14-11-19-12-18(14)6-9-23-10-7-18)20-8-5-15-13-3-1-2-4-16(13)24-21-15/h1-4,14,19H,5-12H2,(H,20,22).
What are the key properties of N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzothiazol-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155958881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).