2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C18H20N2OS — CID 98443523

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C18H20N2OS/c21-17(11-15-10-12-1-2-14(15)9-12)20-16-5-3-13(4-6-16)18-19-7-8-22-18/h3-8,12,14-15H,1-2,9-11H2,(H,20,21)/t12-,14-,15-/m0/s1
InChIKeyOCBMEQYDEQTKLY-QEJZJMRPSA-N
MW312.44 g/mol
LogP4.57
Rot. Bonds4

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 98443523) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
PubChem CID98443523
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C18H20N2OS/c21-17(11-15-10-12-1-2-14(15)9-12)20-16-5-3-13(4-6-16)18-19-7-8-22-18/h3-8,12,14-15H,1-2,9-11H2,(H,20,21)/t12-,14-,15-/m0/s1
InChIKeyOCBMEQYDEQTKLY-QEJZJMRPSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 119686460
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 98588277
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
methyl 2-[4-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]phenyl]acetate
CID 98750990
methyl 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoate
CID 43404005
[4-(1,3-thiazol-2-yl)phenyl] (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98727525
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 98443523) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The InChIKey is OCBMEQYDEQTKLY-QEJZJMRPSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-17(11-15-10-12-1-2-14(15)9-12)20-16-5-3-13(4-6-16)18-19-7-8-22-18/h3-8,12,14-15H,1-2,9-11H2,(H,20,21)/t12-,14-,15-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 98443523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).