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

C19H20N2O2S — CID 11717092

IUPAC(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCOC1[C@@H]2CS[C@@H](c3ccccc3)N2C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-23-17-16-13-24-18(15-10-6-3-7-11-15)21(16)19(22)20(17)12-14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17?,18-/m0/s1
InChIKeyZOWJTCLBLCUHCR-RGBJRUIASA-N
MW340.45 g/mol
LogP3.71
Rot. Bonds4

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

(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (PubChem CID 11717092) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.

Molecular Properties

Compound Name(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
PubChem CID11717092
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCOC1[C@@H]2CS[C@@H](c3ccccc3)N2C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-23-17-16-13-24-18(15-10-6-3-7-11-15)21(16)19(22)20(17)12-14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17?,18-/m0/s1
InChIKeyZOWJTCLBLCUHCR-RGBJRUIASA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 67753796
(7aR)-6-benzyl-7-hexoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 67753595
(7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 15612061
(7R,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
CID 15612062
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
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
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
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
(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
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
(3R,4R)-1-benzyl-3-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-methoxyazetidin-2-one
CID 134920468

Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The IUPAC name of (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (CID 11717092) is (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.
What is the SMILES notation for (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The canonical SMILES for (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one is COC1[C@@H]2CS[C@@H](c3ccccc3)N2C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The InChIKey is ZOWJTCLBLCUHCR-RGBJRUIASA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-23-17-16-13-24-18(15-10-6-3-7-11-15)21(16)19(22)20(17)12-14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17?,18-/m0/s1.
What are the key properties of (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
(3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one has a molecular weight of 340.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-6-benzyl-7-methoxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one is sourced from PubChem (CID 11717092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).