N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C18H21ClN4O3S — CID 55718893

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55718893) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
• PubChem CID: 55718893
• Molecular Formula: C18H21ClN4O3S
• Molecular Weight: 408.91 g/mol
• Exact Mass: 408.10
• IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
• SMILES: CC(C)COc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1Cl
• InChI: InChI=1S/C18H21ClN4O3S/c1-11(2)9-26-15-4-3-12(7-14(15)19)21-16(24)8-13-10-27-18(22-13)23-6-5-20-17(23)25/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,25)(H,21,24)
• InChIKey: FLXRGUXPZZYNDI-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.91
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55718893) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CC(C)COc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1Cl.

What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

The InChIKey is FLXRGUXPZZYNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-11(2)9-26-15-4-3-12(7-14(15)19)21-16(24)8-13-10-27-18(22-13)23-6-5-20-17(23)25/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,25)(H,21,24).

What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 408.91 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55718893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).