N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

C25H34N2OS — CID 5077872

About N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5077872) has the molecular formula C25H34N2OS and a molecular weight of 410.63 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
• PubChem CID: 5077872
• Molecular Formula: C25H34N2OS
• Molecular Weight: 410.63 g/mol
• Exact Mass: 410.24
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
• SMILES: CC(C)c1ccc(C2SCCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
• InChI: InChI=1S/C25H34N2OS/c1-16(2)19-10-12-20(13-11-19)24-27(14-15-29-24)25(28)26-23-21(17(3)4)8-7-9-22(23)18(5)6/h7-13,16-18,24H,14-15H2,1-6H3,(H,26,28)
• InChIKey: UMKSFORUROIOGP-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.63
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (CID 5077872) is N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is CC(C)c1ccc(C2SCCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?

The InChIKey is UMKSFORUROIOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2OS/c1-16(2)19-10-12-20(13-11-19)24-27(14-15-29-24)25(28)26-23-21(17(3)4)8-7-9-22(23)18(5)6/h7-13,16-18,24H,14-15H2,1-6H3,(H,26,28).

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?

N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 410.63 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5077872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).