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

C16H18N2OS — CID 47141340

IUPACN-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)C1CC2CCC1C2)c1nc2ccccc2s1
InChIInChI=1S/C16H18N2OS/c1-18(15(19)12-9-10-6-7-11(12)8-10)16-17-13-4-2-3-5-14(13)20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyQPGDOTZHLVIJEY-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.70
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47141340) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47141340
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)C1CC2CCC1C2)c1nc2ccccc2s1
InChIInChI=1S/C16H18N2OS/c1-18(15(19)12-9-10-6-7-11(12)8-10)16-17-13-4-2-3-5-14(13)20-16/h2-5,10-12H,6-9H2,1H3
InChIKeyQPGDOTZHLVIJEY-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2836976
N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide
CID 34256873
trans-(1R,2R)-N-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95156605
N-(1,3-benzothiazol-2-yl)-N-methyl-5-oxaspiro[2.4]heptane-2-carboxamide
CID 155948915
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
CID 46532413
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
N-(1,3-benzothiazol-2-yl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methylacetamide
CID 51333313
4-N-(1,3-benzothiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79116231
N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 4815545

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 47141340) is N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(C(=O)C1CC2CCC1C2)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QPGDOTZHLVIJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18(15(19)12-9-10-6-7-11(12)8-10)16-17-13-4-2-3-5-14(13)20-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47141340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).