N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide

C17H20N2OS — CID 98289837

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ncsc2c1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H20N2OS/c1-10(14-7-11-2-3-12(14)6-11)19-17(20)13-4-5-15-16(8-13)21-9-18-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,19,20)/t10-,11+,12+,14-/m1/s1
InChIKeyNHYRPZHPNZYKLN-OWTLIXCDSA-N
MW300.43 g/mol
LogP3.85
Rot. Bonds3

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 98289837) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID98289837
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2ncsc2c1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H20N2OS/c1-10(14-7-11-2-3-12(14)6-11)19-17(20)13-4-5-15-16(8-13)21-9-18-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,19,20)/t10-,11+,12+,14-/m1/s1
InChIKeyNHYRPZHPNZYKLN-OWTLIXCDSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79589931
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-bromo-3,5-dimethoxybenzamide
CID 43021469
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 124528243

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide (CID 98289837) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide is C[C@@H](NC(=O)c1ccc2ncsc2c1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is NHYRPZHPNZYKLN-OWTLIXCDSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-10(14-7-11-2-3-12(14)6-11)19-17(20)13-4-5-15-16(8-13)21-9-18-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,19,20)/t10-,11+,12+,14-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 98289837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).