3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one

C25H21N3O3S — CID 101465813

IUPAC3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)[C@H](N3C(=O)CS/C3=N\c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H21N3O3S/c1-31-20-14-12-19(13-15-20)27-22(17-8-4-2-5-9-17)23(24(27)30)28-21(29)16-32-25(28)26-18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3/b26-25-/t22-,23-/m1/s1
InChIKeyUVTRTKBJGGTUPE-XXZKKCIUSA-N
MW443.53 g/mol
LogP4.41
Rot. Bonds5

About 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one

3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 101465813) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID101465813
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC Name3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)[C@H](N3C(=O)CS/C3=N\c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H21N3O3S/c1-31-20-14-12-19(13-15-20)27-22(17-8-4-2-5-9-17)23(24(27)30)28-21(29)16-32-25(28)26-18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3/b26-25-/t22-,23-/m1/s1
InChIKeyUVTRTKBJGGTUPE-XXZKKCIUSA-N
XLogP4.41
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
3-[(Z)-benzylideneamino]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 5498782
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
CID 101226583
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one (CID 101465813) is 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)[C@H](N3C(=O)CS/C3=N\c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UVTRTKBJGGTUPE-XXZKKCIUSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-31-20-14-12-19(13-15-20)27-22(17-8-4-2-5-9-17)23(24(27)30)28-21(29)16-32-25(28)26-18-10-6-3-7-11-18/h2-15,22-23H,16H2,1H3/b26-25-/t22-,23-/m1/s1.
What are the key properties of 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one?
3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 443.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 101465813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).