(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide

C19H23NO3S — CID 134786393

IUPAC(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESCC(C)N1C[C@@H](COc2ccccc2)[C@H](c2ccccc2)[S+]1(=O)[O-]
InChIInChI=1S/C19H23NO3S/c1-15(2)20-13-17(14-23-18-11-7-4-8-12-18)19(24(20,21)22)16-9-5-3-6-10-16/h3-12,15,17,19H,13-14H2,1-2H3/t17-,19-/m0/s1
InChIKeyDYVIYZVBIZTEQW-HKUYNNGSSA-N
MW345.46 g/mol
LogP3.69
Rot. Bonds5

About (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide

(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide (PubChem CID 134786393) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide
PubChem CID134786393
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESCC(C)N1C[C@@H](COc2ccccc2)[C@H](c2ccccc2)[S+]1(=O)[O-]
InChIInChI=1S/C19H23NO3S/c1-15(2)20-13-17(14-23-18-11-7-4-8-12-18)19(24(20,21)22)16-9-5-3-6-10-16/h3-12,15,17,19H,13-14H2,1-2H3/t17-,19-/m0/s1
InChIKeyDYVIYZVBIZTEQW-HKUYNNGSSA-N
XLogP3.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The IUPAC name of (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide (CID 134786393) is (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The canonical SMILES for (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide is CC(C)N1C[C@@H](COc2ccccc2)[C@H](c2ccccc2)[S+]1(=O)[O-].
What is the InChIKey of (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The InChIKey is DYVIYZVBIZTEQW-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15(2)20-13-17(14-23-18-11-7-4-8-12-18)19(24(20,21)22)16-9-5-3-6-10-16/h3-12,15,17,19H,13-14H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide has a molecular weight of 345.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 134786393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).