N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C19H22N2OS — CID 16550294

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H22N2OS/c22-18(11-16-9-14-6-7-15(16)8-14)21-19-20-12-17(23-19)10-13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2,(H,20,21,22)
InChIKeyOVMJVEYRTPMXDQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.50
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 16550294) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID16550294
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CC1CC2CCC1C2)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H22N2OS/c22-18(11-16-9-14-6-7-15(16)8-14)21-19-20-12-17(23-19)10-13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2,(H,20,21,22)
InChIKeyOVMJVEYRTPMXDQ-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 16550294) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is O=C(CC1CC2CCC1C2)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is OVMJVEYRTPMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-18(11-16-9-14-6-7-15(16)8-14)21-19-20-12-17(23-19)10-13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 16550294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).