N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide

C20H20ClN3O2S3 — CID 37389983

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 37389983) has the molecular formula C20H20ClN3O2S3 and a molecular weight of 466.05 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
• PubChem CID: 37389983
• Molecular Formula: C20H20ClN3O2S3
• Molecular Weight: 466.05 g/mol
• Exact Mass: 465.04
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
• SMILES: CC(=O)NCc1ccc(-c2nc(NC(=O)CSCc3cccc(Cl)c3)sc2C)s1
• InChI: InChI=1S/C20H20ClN3O2S3/c1-12-19(17-7-6-16(29-17)9-22-13(2)25)24-20(28-12)23-18(26)11-27-10-14-4-3-5-15(21)8-14/h3-8H,9-11H2,1-2H3,(H,22,25)(H,23,24,26)
• InChIKey: MBYZJJFJISWFMM-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.05
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide (CID 37389983) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide is CC(=O)NCc1ccc(-c2nc(NC(=O)CSCc3cccc(Cl)c3)sc2C)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?

The InChIKey is MBYZJJFJISWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S3/c1-12-19(17-7-6-16(29-17)9-22-13(2)25)24-20(28-12)23-18(26)11-27-10-14-4-3-5-15(21)8-14/h3-8H,9-11H2,1-2H3,(H,22,25)(H,23,24,26).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 466.05 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 37389983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).