2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide

C22H22Cl2N2O2S — CID 4547348

About 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide

2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 4547348) has the molecular formula C22H22Cl2N2O2S and a molecular weight of 449.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 4547348
• Molecular Formula: C22H22Cl2N2O2S
• Molecular Weight: 449.40 g/mol
• Exact Mass: 448.08
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide
• SMILES: CC(C)Cc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)n2)cc1
• InChI: InChI=1S/C22H22Cl2N2O2S/c1-13(2)10-15-4-6-16(7-5-15)19-12-29-22(25-19)26-21(27)14(3)28-20-9-8-17(23)11-18(20)24/h4-9,11-14H,10H2,1-3H3,(H,25,26,27)
• InChIKey: NJQWVQJWBPJVJJ-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.40
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide (CID 4547348) is 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide is CC(C)Cc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)n2)cc1.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide?

The InChIKey is NJQWVQJWBPJVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2S/c1-13(2)10-15-4-6-16(7-5-15)19-12-29-22(25-19)26-21(27)14(3)28-20-9-8-17(23)11-18(20)24/h4-9,11-14H,10H2,1-3H3,(H,25,26,27).

What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide?

2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 449.40 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 4547348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).