2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide

C20H16Cl2N2OS — CID 4691559

IUPAC2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2OS/c21-14-8-9-16(17(22)12-14)19-24(10-11-26-19)20(25)23-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12,19H,10-11H2,(H,23,25)
InChIKeyUYVMMQYETUNYGM-UHFFFAOYSA-N
MW403.33 g/mol
LogP6.43
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide

2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 4691559) has the molecular formula C20H16Cl2N2OS and a molecular weight of 403.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
PubChem CID4691559
Molecular FormulaC20H16Cl2N2OS
Molecular Weight403.33 g/mol
Exact Mass402.04
IUPAC Name2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H16Cl2N2OS/c21-14-8-9-16(17(22)12-14)19-24(10-11-26-19)20(25)23-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12,19H,10-11H2,(H,23,25)
InChIKeyUYVMMQYETUNYGM-UHFFFAOYSA-N
XLogP6.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.33
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide (CID 4691559) is 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc2ccccc12)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is UYVMMQYETUNYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2OS/c21-14-8-9-16(17(22)12-14)19-24(10-11-26-19)20(25)23-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12,19H,10-11H2,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 403.33 g/mol, XLogP of 6.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4691559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).