(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one

C18H18N2O2S — CID 15612062

IUPAC(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESO=C1N(Cc2ccccc2)[C@H](O)[C@@H]2CSC(c3ccccc3)N12
InChIInChI=1S/C18H18N2O2S/c21-16-15-12-23-17(14-9-5-2-6-10-14)20(15)18(22)19(16)11-13-7-3-1-4-8-13/h1-10,15-17,21H,11-12H2/t15-,16+,17?/m0/s1
InChIKeyKSROFWLFSQKZBU-RTKIROINSA-N
MW326.42 g/mol
LogP3.06
Rot. Bonds3

About (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one

(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (PubChem CID 15612062) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.

Molecular Properties

Compound Name(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
PubChem CID15612062
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESO=C1N(Cc2ccccc2)[C@H](O)[C@@H]2CSC(c3ccccc3)N12
InChIInChI=1S/C18H18N2O2S/c21-16-15-12-23-17(14-9-5-2-6-10-14)20(15)18(22)19(16)11-13-7-3-1-4-8-13/h1-10,15-17,21H,11-12H2/t15-,16+,17?/m0/s1
InChIKeyKSROFWLFSQKZBU-RTKIROINSA-N
XLogP3.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 15612061
(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 11717092
6-[(3S,7R,7aR)-6-benzyl-5-oxo-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-7-yl]-6-oxohexanoic acid
CID 11293540
(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 67753796
methyl 6-[(3S,7R,7aR)-6-benzyl-5-oxo-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-7-yl]-6-oxohexanoate
CID 11419611
(7aR)-6-benzyl-7-hexoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 67753595
7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 44827800
(3aS,6aR)-1,3-dibenzyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 11771694
(3S,7R,7aR)-6-benzyl-7-(1-hydroxy-2-oxocyclohexyl)-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one;(3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one;(3S)-6-benzyl-3-phenyl-1,3-dihydroimidazo[1,5-c][1,3]thiazol-5-one;dichlorozinc;methane;trimethyl-[2-(trimethyl-λ4-sulfanyl)oxycyclohexen-1-yl]oxy-λ4-sulfane
CID 159804371
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
(3aS)-1,3-dibenzyl-6,6a-dihydro-3aH-thieno[3,4-d]imidazole-2,4-dione
CID 149229260

Frequently Asked Questions

What is the IUPAC name of (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The IUPAC name of (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (CID 15612062) is (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.
What is the SMILES notation for (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The canonical SMILES for (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one is O=C1N(Cc2ccccc2)[C@H](O)[C@@H]2CSC(c3ccccc3)N12.
What is the InChIKey of (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The InChIKey is KSROFWLFSQKZBU-RTKIROINSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-16-15-12-23-17(14-9-5-2-6-10-14)20(15)18(22)19(16)11-13-7-3-1-4-8-13/h1-10,15-17,21H,11-12H2/t15-,16+,17?/m0/s1.
What are the key properties of (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one has a molecular weight of 326.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one is sourced from PubChem (CID 15612062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).