[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone

C14H11Cl2NO2S — CID 5152837

IUPAC[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO2S/c15-9-3-4-10(11(16)8-9)14-17(5-7-20-14)13(18)12-2-1-6-19-12/h1-4,6,8,14H,5,7H2
InChIKeyYTNYVOGPMOFKMI-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.47
Rot. Bonds2

About [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone

[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone (PubChem CID 5152837) has the molecular formula C14H11Cl2NO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
PubChem CID5152837
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO2S/c15-9-3-4-10(11(16)8-9)14-17(5-7-20-14)13(18)12-2-1-6-19-12/h1-4,6,8,14H,5,7H2
InChIKeyYTNYVOGPMOFKMI-UHFFFAOYSA-N
XLogP4.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7264912
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
CID 122331065
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331128
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone (CID 5152837) is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone?
The InChIKey is YTNYVOGPMOFKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c15-9-3-4-10(11(16)8-9)14-17(5-7-20-14)13(18)12-2-1-6-19-12/h1-4,6,8,14H,5,7H2.
What are the key properties of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone?
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone has a molecular weight of 328.22 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 5152837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).