6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one

C13H14N2O2S — CID 54391912

IUPAC6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCC1SCc2c(O)n(Cc3ccccc3)c(=O)n21
InChIInChI=1S/C13H14N2O2S/c1-9-15-11(8-18-9)12(16)14(13(15)17)7-10-5-3-2-4-6-10/h2-6,9,16H,7-8H2,1H3
InChIKeyVHFQFGJVUDJFFE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.17
Rot. Bonds2

About 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one

6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one (PubChem CID 54391912) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one
PubChem CID54391912
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCC1SCc2c(O)n(Cc3ccccc3)c(=O)n21
InChIInChI=1S/C13H14N2O2S/c1-9-15-11(8-18-9)12(16)14(13(15)17)7-10-5-3-2-4-6-10/h2-6,9,16H,7-8H2,1H3
InChIKeyVHFQFGJVUDJFFE-UHFFFAOYSA-N
XLogP2.17
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-benzyl-1-hydroxy-5-methyl-2-(2-phenylethyl)-5,8-dihydroimidazo[1,5-a]pyrazine-3,6-dione
CID 90727427
1-benzyl-3-cyclohexyl-4-hydroxy-5-(2-phenylethyl)imidazol-2-one
CID 90883448
1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione
CID 90362075
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
4-benzyl-6-methylthiomorpholin-3-one
CID 10560956
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91929886
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
CID 174765027
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
(1S,7R,8S,9R)-4-benzyl-8,9-dibromo-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98152927
(3aS,5R,7aS)-2-benzyl-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124713956

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one (CID 54391912) is 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one is CC1SCc2c(O)n(Cc3ccccc3)c(=O)n21.
What is the InChIKey of 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
The InChIKey is VHFQFGJVUDJFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-15-11(8-18-9)12(16)14(13(15)17)7-10-5-3-2-4-6-10/h2-6,9,16H,7-8H2,1H3.
What are the key properties of 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one has a molecular weight of 262.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-3-methyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one is sourced from PubChem (CID 54391912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).