N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C15H16N2OS — CID 2836976

IUPACN-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC2CCC1C2
InChIInChI=1S/C15H16N2OS/c18-14(11-8-9-5-6-10(11)7-9)17-15-16-12-3-1-2-4-13(12)19-15/h1-4,9-11H,5-8H2,(H,16,17,18)
InChIKeyXFJCAJSVGYJLDR-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.67
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2836976) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2836976
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC2CCC1C2
InChIInChI=1S/C15H16N2OS/c18-14(11-8-9-5-6-10(11)7-9)17-15-16-12-3-1-2-4-13(12)19-15/h1-4,9-11H,5-8H2,(H,16,17,18)
InChIKeyXFJCAJSVGYJLDR-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S)-N-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7117228
(1R,2R,4R)-N-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6974886
N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 4815545
(1S,2R,3S,4S)-3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98563078
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 47141340
2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119672105
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785876

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2836976) is N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1nc2ccccc2s1)C1CC2CCC1C2.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XFJCAJSVGYJLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-14(11-8-9-5-6-10(11)7-9)17-15-16-12-3-1-2-4-13(12)19-15/h1-4,9-11H,5-8H2,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).