3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide

C19H22N2O2S — CID 58048309

IUPAC3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide
SMILESCC1(c2cccc(C(N)=O)c2)SC(CC2CC3CCC2C3)=NC1=O
InChIInChI=1S/C19H22N2O2S/c1-19(15-4-2-3-13(9-15)17(20)22)18(23)21-16(24-19)10-14-8-11-5-6-12(14)7-11/h2-4,9,11-12,14H,5-8,10H2,1H3,(H2,20,22)
InChIKeySLIXPLHUBLUSMZ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.50
Rot. Bonds4

About 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide

3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide (PubChem CID 58048309) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide
PubChem CID58048309
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide
SMILESCC1(c2cccc(C(N)=O)c2)SC(CC2CC3CCC2C3)=NC1=O
InChIInChI=1S/C19H22N2O2S/c1-19(15-4-2-3-13(9-15)17(20)22)18(23)21-16(24-19)10-14-8-11-5-6-12(14)7-11/h2-4,9,11-12,14H,5-8,10H2,1H3,(H2,20,22)
InChIKeySLIXPLHUBLUSMZ-UHFFFAOYSA-N
XLogP3.50
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide?
The IUPAC name of 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide (CID 58048309) is 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide is CC1(c2cccc(C(N)=O)c2)SC(CC2CC3CCC2C3)=NC1=O.
What is the InChIKey of 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide?
The InChIKey is SLIXPLHUBLUSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-19(15-4-2-3-13(9-15)17(20)22)18(23)21-16(24-19)10-14-8-11-5-6-12(14)7-11/h2-4,9,11-12,14H,5-8,10H2,1H3,(H2,20,22).
What are the key properties of 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide?
3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 58048309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).