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

C18H17Cl2NO3S — CID 7482183

IUPAC(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc([C@@H]2SCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H17Cl2NO3S/c1-23-12-4-5-13(16(10-12)24-2)18-21(7-8-25-18)17(22)11-3-6-14(19)15(20)9-11/h3-6,9-10,18H,7-8H2,1-2H3/t18-/m0/s1
InChIKeyJGIUGQVMOIXIAD-SFHVURJKSA-N
MW398.31 g/mol
LogP4.90
Rot. Bonds4

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

(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 7482183) has the molecular formula C18H17Cl2NO3S and a molecular weight of 398.31 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID7482183
Molecular FormulaC18H17Cl2NO3S
Molecular Weight398.31 g/mol
Exact Mass397.03
IUPAC Name(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc([C@@H]2SCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C18H17Cl2NO3S/c1-23-12-4-5-13(16(10-12)24-2)18-21(7-8-25-18)17(22)11-3-6-14(19)15(20)9-11/h3-6,9-10,18H,7-8H2,1-2H3/t18-/m0/s1
InChIKeyJGIUGQVMOIXIAD-SFHVURJKSA-N
XLogP4.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122330377
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7413566
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 7482183) is (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc([C@@H]2SCCN2C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is JGIUGQVMOIXIAD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S/c1-23-12-4-5-13(16(10-12)24-2)18-21(7-8-25-18)17(22)11-3-6-14(19)15(20)9-11/h3-6,9-10,18H,7-8H2,1-2H3/t18-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 398.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7482183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).