[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone

C21H26N2O2S — CID 5073983

IUPAC[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc(C2SCCN2C(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-22(5-2)18-11-9-16(10-12-18)21-23(13-14-26-21)20(24)17-7-6-8-19(15-17)25-3/h6-12,15,21H,4-5,13-14H2,1-3H3
InChIKeyWOWZECNOCYJVNH-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.43
Rot. Bonds6

About [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone

[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 5073983) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID5073983
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCCN(CC)c1ccc(C2SCCN2C(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-22(5-2)18-11-9-16(10-12-18)21-23(13-14-26-21)20(24)17-7-6-8-19(15-17)25-3/h6-12,15,21H,4-5,13-14H2,1-3H3
InChIKeyWOWZECNOCYJVNH-UHFFFAOYSA-N
XLogP4.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 1024182
(3-methoxyphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 4080267
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7350041
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122330459
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-iodophenyl)methanone
CID 122345806
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 5236428
[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

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone (CID 5073983) is [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone is CCN(CC)c1ccc(C2SCCN2C(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is WOWZECNOCYJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-22(5-2)18-11-9-16(10-12-18)21-23(13-14-26-21)20(24)17-7-6-8-19(15-17)25-3/h6-12,15,21H,4-5,13-14H2,1-3H3.
What are the key properties of [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone?
[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 370.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 5073983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).