[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone

C21H19NO2S2 — CID 100713336

IUPAC[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
SMILESCOc1ccc([C@H]2SCCN2C(=O)c2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C21H19NO2S2/c1-24-19-8-6-17(7-9-19)21-22(11-13-26-21)20(23)16-4-2-15(3-5-16)18-10-12-25-14-18/h2-10,12,14,21H,11,13H2,1H3/t21-/m1/s1
InChIKeyVFGYJZVXXIKXTP-OAQYLSRUSA-N
MW381.52 g/mol
LogP5.31
Rot. Bonds4

About [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone

[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone (PubChem CID 100713336) has the molecular formula C21H19NO2S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
PubChem CID100713336
Molecular FormulaC21H19NO2S2
Molecular Weight381.52 g/mol
Exact Mass381.09
IUPAC Name[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
SMILESCOc1ccc([C@H]2SCCN2C(=O)c2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C21H19NO2S2/c1-24-19-8-6-17(7-9-19)21-22(11-13-26-21)20(23)16-4-2-15(3-5-16)18-10-12-25-14-18/h2-10,12,14,21H,11,13H2,1H3/t21-/m1/s1
InChIKeyVFGYJZVXXIKXTP-OAQYLSRUSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614
[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 3257752
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438
2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 122331424
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122329030

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone?
The IUPAC name of [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone (CID 100713336) is [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone?
The canonical SMILES for [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone is COc1ccc([C@H]2SCCN2C(=O)c2ccc(-c3ccsc3)cc2)cc1.
What is the InChIKey of [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone?
The InChIKey is VFGYJZVXXIKXTP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19NO2S2/c1-24-19-8-6-17(7-9-19)21-22(11-13-26-21)20(23)16-4-2-15(3-5-16)18-10-12-25-14-18/h2-10,12,14,21H,11,13H2,1H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone?
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone has a molecular weight of 381.52 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone is sourced from PubChem (CID 100713336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).