1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone

C18H17BrClNO2S — CID 122330084

IUPAC1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone
SMILESCOc1ccc(Br)cc1C1SCCN1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H17BrClNO2S/c1-23-16-7-6-13(19)11-14(16)18-21(8-9-24-18)17(22)10-12-4-2-3-5-15(12)20/h2-7,11,18H,8-10H2,1H3
InChIKeyCTCPNVOKZQOSBN-UHFFFAOYSA-N
MW426.76 g/mol
LogP4.93
Rot. Bonds4

About 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone

1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone (PubChem CID 122330084) has the molecular formula C18H17BrClNO2S and a molecular weight of 426.76 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone
PubChem CID122330084
Molecular FormulaC18H17BrClNO2S
Molecular Weight426.76 g/mol
Exact Mass424.99
IUPAC Name1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone
SMILESCOc1ccc(Br)cc1C1SCCN1C(=O)Cc1ccccc1Cl
InChIInChI=1S/C18H17BrClNO2S/c1-23-16-7-6-13(19)11-14(16)18-21(8-9-24-18)17(22)10-12-4-2-3-5-15(12)20/h2-7,11,18H,8-10H2,1H3
InChIKeyCTCPNVOKZQOSBN-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.76
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone (CID 122330084) is 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone is COc1ccc(Br)cc1C1SCCN1C(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone?
The InChIKey is CTCPNVOKZQOSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClNO2S/c1-23-16-7-6-13(19)11-14(16)18-21(8-9-24-18)17(22)10-12-4-2-3-5-15(12)20/h2-7,11,18H,8-10H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone?
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone has a molecular weight of 426.76 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 122330084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).