2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole

C14H17N3S — CID 112740355

IUPAC2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(N3CCC4(CCNC4)C3)nc2c1
InChIInChI=1S/C14H17N3S/c1-2-4-12-11(3-1)16-13(18-12)17-8-6-14(10-17)5-7-15-9-14/h1-4,15H,5-10H2
InChIKeyBFHWHIKVIYIYDQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole

2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole (PubChem CID 112740355) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
PubChem CID112740355
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(N3CCC4(CCNC4)C3)nc2c1
InChIInChI=1S/C14H17N3S/c1-2-4-12-11(3-1)16-13(18-12)17-8-6-14(10-17)5-7-15-9-14/h1-4,15H,5-10H2
InChIKeyBFHWHIKVIYIYDQ-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,8-diazaspiro[5.5]undecan-2-yl)-1,3-benzothiazole
CID 102850626
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 112740371
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-benzothiazole
CID 102850087
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
(6R)-4-(1,3-benzothiazol-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789026
5-(2,7-diazaspiro[4.4]nonan-2-yl)-1,2-oxazole
CID 10081310
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole (CID 112740355) is 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole is c1ccc2sc(N3CCC4(CCNC4)C3)nc2c1.
What is the InChIKey of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole?
The InChIKey is BFHWHIKVIYIYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-4-12-11(3-1)16-13(18-12)17-8-6-14(10-17)5-7-15-9-14/h1-4,15H,5-10H2.
What are the key properties of 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole?
2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole has a molecular weight of 259.38 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 112740355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).