N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C16H18N2OS — CID 4815545

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1nc2ccccc2s1
InChIInChI=1S/C16H18N2OS/c19-15(9-12-8-10-5-6-11(12)7-10)18-16-17-13-3-1-2-4-14(13)20-16/h1-4,10-12H,5-9H2,(H,17,18,19)
InChIKeyUPTNZHAQTOMLDI-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.06
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 4815545) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID4815545
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1nc2ccccc2s1
InChIInChI=1S/C16H18N2OS/c19-15(9-12-8-10-5-6-11(12)7-10)18-16-17-13-3-1-2-4-14(13)20-16/h1-4,10-12H,5-9H2,(H,17,18,19)
InChIKeyUPTNZHAQTOMLDI-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785876
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18556908
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 11918855
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 11914350
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 21175493
N-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2836976
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18556971
2-(2-bicyclo[2.2.1]heptanyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
CID 60520605
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
(1S,2R,3S,4S)-3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98563078
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 16550294
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51073156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 4815545) is N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is O=C(CC1CC2CCC1C2)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is UPTNZHAQTOMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-15(9-12-8-10-5-6-11(12)7-10)18-16-17-13-3-1-2-4-14(13)20-16/h1-4,10-12H,5-9H2,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 4.06, 3 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)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 4815545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).