3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

C19H19ClFNO2S — CID 122331472

IUPAC3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1ccc(C2SCCN2C(=O)CCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClFNO2S/c1-24-15-6-4-14(5-7-15)19-22(10-11-25-19)18(23)9-3-13-2-8-17(21)16(20)12-13/h2,4-8,12,19H,3,9-11H2,1H3
InChIKeyAWUNXBGJOKJFOB-UHFFFAOYSA-N
MW379.88 g/mol
LogP4.69
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 122331472) has the molecular formula C19H19ClFNO2S and a molecular weight of 379.88 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID122331472
Molecular FormulaC19H19ClFNO2S
Molecular Weight379.88 g/mol
Exact Mass379.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1ccc(C2SCCN2C(=O)CCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClFNO2S/c1-24-15-6-4-14(5-7-15)19-22(10-11-25-19)18(23)9-3-13-2-8-17(21)16(20)12-13/h2,4-8,12,19H,3,9-11H2,1H3
InChIKeyAWUNXBGJOKJFOB-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331128
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
2-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 122331404
3-(2,4-dichlorophenyl)-1-[(2S)-2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 95776814
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
1-(4-chlorophenyl)-4-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 122331394

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 122331472) is 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is COc1ccc(C2SCCN2C(=O)CCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is AWUNXBGJOKJFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2S/c1-24-15-6-4-14(5-7-15)19-22(10-11-25-19)18(23)9-3-13-2-8-17(21)16(20)12-13/h2,4-8,12,19H,3,9-11H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 379.88 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 122331472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).