2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C17H20N2OS — CID 18556908

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)sc2c1
InChIInChI=1S/C17H20N2OS/c1-10-2-5-14-15(6-10)21-17(18-14)19-16(20)9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,18,19,20)/t11-,12-,13-/m1/s1
InChIKeyQATIEIRYZXXJLJ-JHJVBQTASA-N
MW300.43 g/mol
LogP4.37
Rot. Bonds3

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 18556908) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID18556908
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)sc2c1
InChIInChI=1S/C17H20N2OS/c1-10-2-5-14-15(6-10)21-17(18-14)19-16(20)9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,18,19,20)/t11-,12-,13-/m1/s1
InChIKeyQATIEIRYZXXJLJ-JHJVBQTASA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

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-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18556971
N-(1,3-benzothiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 4815545
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 21175493
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
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18555932
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 114427841
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 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 18556908) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)sc2c1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QATIEIRYZXXJLJ-JHJVBQTASA-N. The full InChI is InChI=1S/C17H20N2OS/c1-10-2-5-14-15(6-10)21-17(18-14)19-16(20)9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,18,19,20)/t11-,12-,13-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 300.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 18556908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).