N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H19N3O2S3 — CID 33218221

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 33218221) has the molecular formula C21H19N3O2S3 and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
• PubChem CID: 33218221
• Molecular Formula: C21H19N3O2S3
• Molecular Weight: 441.60 g/mol
• Exact Mass: 441.06
• IUPAC Name: N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)c3cccc(OCc4cscn4)c3)s2)cs1
• InChI: InChI=1S/C21H19N3O2S3/c1-14-24-19(12-28-14)20-6-5-18(29-20)7-8-22-21(25)15-3-2-4-17(9-15)26-10-16-11-27-13-23-16/h2-6,9,11-13H,7-8,10H2,1H3,(H,22,25)
• InChIKey: DUXCJDFFSJFVAS-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.60
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?

The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 33218221) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?

The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1nc(-c2ccc(CCNC(=O)c3cccc(OCc4cscn4)c3)s2)cs1.

What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?

The InChIKey is DUXCJDFFSJFVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S3/c1-14-24-19(12-28-14)20-6-5-18(29-20)7-8-22-21(25)15-3-2-4-17(9-15)26-10-16-11-27-13-23-16/h2-6,9,11-13H,7-8,10H2,1H3,(H,22,25).

What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 441.60 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 33218221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).