N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C24H27ClN2O2S — CID 43843714

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 43843714) has the molecular formula C24H27ClN2O2S and a molecular weight of 443.01 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
• PubChem CID: 43843714
• Molecular Formula: C24H27ClN2O2S
• Molecular Weight: 443.01 g/mol
• Exact Mass: 442.15
• IUPAC Name: N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
• SMILES: Cc1ccc(C(C)C)c(OC(C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1
• InChI: InChI=1S/C24H27ClN2O2S/c1-15(2)21-10-5-16(3)13-22(21)29-17(4)23(28)26-12-11-20-14-30-24(27-20)18-6-8-19(25)9-7-18/h5-10,13-15,17H,11-12H2,1-4H3,(H,26,28)
• InChIKey: KEZCPEZDTCRKSY-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.01
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 43843714) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1.

What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

The InChIKey is KEZCPEZDTCRKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2S/c1-15(2)21-10-5-16(3)13-22(21)29-17(4)23(28)26-12-11-20-14-30-24(27-20)18-6-8-19(25)9-7-18/h5-10,13-15,17H,11-12H2,1-4H3,(H,26,28).

What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 443.01 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43843714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).