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

C18H18N2O2S — CID 11450222

IUPAC(3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESO=C1N(Cc2ccccc2)C(O)[C@@H]2CS[C@@H](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-QRFGZVGRSA-N
MW326.42 g/mol
LogP3.06
Rot. Bonds3

About (3S,7aR)-6-benzyl-7-hydroxy-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 (PubChem CID 11450222) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.

Molecular Properties

Compound Name(3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
PubChem CID11450222
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESO=C1N(Cc2ccccc2)C(O)[C@@H]2CS[C@@H](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-QRFGZVGRSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The IUPAC name of (3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (CID 11450222) is (3S,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 (3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The canonical SMILES for (3S,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(O)[C@@H]2CS[C@@H](c3ccccc3)N12.
What is the InChIKey of (3S,7aR)-6-benzyl-7-hydroxy-3-phenyl-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The InChIKey is KSROFWLFSQKZBU-QRFGZVGRSA-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 (3S,7aR)-6-benzyl-7-hydroxy-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 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 (3S,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 11450222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).