2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide

C19H23N3OS — CID 118780727

IUPAC2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3OS/c23-18(12-22-11-15-6-7-17(22)8-15)20-10-16-13-24-19(21-16)9-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2,(H,20,23)/t15-,17+/m1/s1
InChIKeyVEXDCAQVZOYOOA-WBVHZDCISA-N
MW341.48 g/mol
LogP2.83
Rot. Bonds6

About 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 118780727) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID118780727
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(CN1C[C@@H]2CC[C@H]1C2)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3OS/c23-18(12-22-11-15-6-7-17(22)8-15)20-10-16-13-24-19(21-16)9-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2,(H,20,23)/t15-,17+/m1/s1
InChIKeyVEXDCAQVZOYOOA-WBVHZDCISA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide (CID 118780727) is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide is O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is VEXDCAQVZOYOOA-WBVHZDCISA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18(12-22-11-15-6-7-17(22)8-15)20-10-16-13-24-19(21-16)9-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2,(H,20,23)/t15-,17+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 118780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).