(4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one

C17H23NO5S — CID 162676937

IUPAC(4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one
SMILESCOc1ccc(CN2C(=O)SC[C@H]2C2(OC)CC(O)CCO2)cc1
InChIInChI=1S/C17H23NO5S/c1-21-14-5-3-12(4-6-14)10-18-15(11-24-16(18)20)17(22-2)9-13(19)7-8-23-17/h3-6,13,15,19H,7-11H2,1-2H3/t13?,15-,17?/m0/s1
InChIKeyBUHJFOAEMMLSNA-GULBITTBSA-N
MW353.44 g/mol
LogP2.25
Rot. Bonds5

About (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one

(4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one (PubChem CID 162676937) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one
PubChem CID162676937
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name(4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one
SMILESCOc1ccc(CN2C(=O)SC[C@H]2C2(OC)CC(O)CCO2)cc1
InChIInChI=1S/C17H23NO5S/c1-21-14-5-3-12(4-6-14)10-18-15(11-24-16(18)20)17(22-2)9-13(19)7-8-23-17/h3-6,13,15,19H,7-11H2,1-2H3/t13?,15-,17?/m0/s1
InChIKeyBUHJFOAEMMLSNA-GULBITTBSA-N
XLogP2.25
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one (CID 162676937) is (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one is COc1ccc(CN2C(=O)SC[C@H]2C2(OC)CC(O)CCO2)cc1.
What is the InChIKey of (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?
The InChIKey is BUHJFOAEMMLSNA-GULBITTBSA-N. The full InChI is InChI=1S/C17H23NO5S/c1-21-14-5-3-12(4-6-14)10-18-15(11-24-16(18)20)17(22-2)9-13(19)7-8-23-17/h3-6,13,15,19H,7-11H2,1-2H3/t13?,15-,17?/m0/s1.
What are the key properties of (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?
(4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one has a molecular weight of 353.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-2-methoxyoxan-2-yl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 162676937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).