2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone

C17H18N2O2S — CID 5079864

IUPAC2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccncc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-15-4-2-13(3-5-15)12-16(20)19-10-11-22-17(19)14-6-8-18-9-7-14/h2-9,17H,10-12H2,1H3
InChIKeySPLTYLDGVPVCPY-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone

2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone (PubChem CID 5079864) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
PubChem CID5079864
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCSC2c2ccncc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-15-4-2-13(3-5-15)12-16(20)19-10-11-22-17(19)14-6-8-18-9-7-14/h2-9,17H,10-12H2,1H3
InChIKeySPLTYLDGVPVCPY-UHFFFAOYSA-N
XLogP2.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122331404
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331472
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438
4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
2-[4-(trifluoromethyl)phenyl]-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122330845

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone (CID 5079864) is 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone is COc1ccc(CC(=O)N2CCSC2c2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is SPLTYLDGVPVCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-15-4-2-13(3-5-15)12-16(20)19-10-11-22-17(19)14-6-8-18-9-7-14/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone?
2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 314.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 5079864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).