9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one

C15H17N3OS — CID 154756050

IUPAC9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(Nc2nc3ccccc3s2)C2(CCC2)N1
InChIInChI=1S/C15H17N3OS/c19-13-7-6-12(15(18-13)8-3-9-15)17-14-16-10-4-1-2-5-11(10)20-14/h1-2,4-5,12H,3,6-9H2,(H,16,17)(H,18,19)
InChIKeyJWLLDUAJJLIINU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.91
Rot. Bonds2

About 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one

9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one (PubChem CID 154756050) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one
PubChem CID154756050
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(Nc2nc3ccccc3s2)C2(CCC2)N1
InChIInChI=1S/C15H17N3OS/c19-13-7-6-12(15(18-13)8-3-9-15)17-14-16-10-4-1-2-5-11(10)20-14/h1-2,4-5,12H,3,6-9H2,(H,16,17)(H,18,19)
InChIKeyJWLLDUAJJLIINU-UHFFFAOYSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
3-(1,3-benzothiazol-2-ylamino)-1-ethylpyrrolidine-2,5-dione
CID 43636502
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 4669483
2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxylic acid
CID 3151998
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8882105
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one (CID 154756050) is 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one is O=C1CCC(Nc2nc3ccccc3s2)C2(CCC2)N1.
What is the InChIKey of 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one?
The InChIKey is JWLLDUAJJLIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-13-7-6-12(15(18-13)8-3-9-15)17-14-16-10-4-1-2-5-11(10)20-14/h1-2,4-5,12H,3,6-9H2,(H,16,17)(H,18,19).
What are the key properties of 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one?
9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one has a molecular weight of 287.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzothiazol-2-ylamino)-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 154756050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).