1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone

C20H18Cl2N2OS — CID 122331088

IUPAC1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCSC2c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C20H18Cl2N2OS/c1-23-12-13(15-4-2-3-5-18(15)23)10-19(25)24-8-9-26-20(24)16-7-6-14(21)11-17(16)22/h2-7,11-12,20H,8-10H2,1H3
InChIKeyNZFNSFGXKRCFSQ-UHFFFAOYSA-N
MW405.35 g/mol
LogP5.30
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 122331088) has the molecular formula C20H18Cl2N2OS and a molecular weight of 405.35 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID122331088
Molecular FormulaC20H18Cl2N2OS
Molecular Weight405.35 g/mol
Exact Mass404.05
IUPAC Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCSC2c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C20H18Cl2N2OS/c1-23-12-13(15-4-2-3-5-18(15)23)10-19(25)24-8-9-26-20(24)16-7-6-14(21)11-17(16)22/h2-7,11-12,20H,8-10H2,1H3
InChIKeyNZFNSFGXKRCFSQ-UHFFFAOYSA-N
XLogP5.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone (CID 122331088) is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone is Cn1cc(CC(=O)N2CCSC2c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is NZFNSFGXKRCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS/c1-23-12-13(15-4-2-3-5-18(15)23)10-19(25)24-8-9-26-20(24)16-7-6-14(21)11-17(16)22/h2-7,11-12,20H,8-10H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone?
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 405.35 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 122331088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).