[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone

C17H17FN2O3S — CID 122345781

IUPAC[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2cncc(F)c2)cc1OC
InChIInChI=1S/C17H17FN2O3S/c1-22-14-4-3-11(8-15(14)23-2)17-20(5-6-24-17)16(21)12-7-13(18)10-19-9-12/h3-4,7-10,17H,5-6H2,1-2H3
InChIKeyNYNWLYXGQSEKIP-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.13
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone

[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 122345781) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID122345781
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2cncc(F)c2)cc1OC
InChIInChI=1S/C17H17FN2O3S/c1-22-14-4-3-11(8-15(14)23-2)17-20(5-6-24-17)16(21)12-7-13(18)10-19-9-12/h3-4,7-10,17H,5-6H2,1-2H3
InChIKeyNYNWLYXGQSEKIP-UHFFFAOYSA-N
XLogP3.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone (CID 122345781) is [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone is COc1ccc(C2SCCN2C(=O)c2cncc(F)c2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is NYNWLYXGQSEKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-22-14-4-3-11(8-15(14)23-2)17-20(5-6-24-17)16(21)12-7-13(18)10-19-9-12/h3-4,7-10,17H,5-6H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone?
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 348.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 122345781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).