N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide

C15H24N2OS — CID 71157187

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide
SMILESCC12CCC(C)(CC(CC(=O)NC3=NCCS3)C1)C2
InChIInChI=1S/C15H24N2OS/c1-14-3-4-15(2,10-14)9-11(8-14)7-12(18)17-13-16-5-6-19-13/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyPOXYPVJMWSYXBJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.20
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide (PubChem CID 71157187) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide
PubChem CID71157187
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide
SMILESCC12CCC(C)(CC(CC(=O)NC3=NCCS3)C1)C2
InChIInChI=1S/C15H24N2OS/c1-14-3-4-15(2,10-14)9-11(8-14)7-12(18)17-13-16-5-6-19-13/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyPOXYPVJMWSYXBJ-UHFFFAOYSA-N
XLogP3.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide (CID 71157187) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide is CC12CCC(C)(CC(CC(=O)NC3=NCCS3)C1)C2.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide?
The InChIKey is POXYPVJMWSYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-14-3-4-15(2,10-14)9-11(8-14)7-12(18)17-13-16-5-6-19-13/h11H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,5-dimethyl-3-bicyclo[3.2.1]octanyl)acetamide is sourced from PubChem (CID 71157187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).