N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide

C21H21N3O2S2 — CID 38392360

About N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide (PubChem CID 38392360) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
• PubChem CID: 38392360
• Molecular Formula: C21H21N3O2S2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.11
• IUPAC Name: N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
• SMILES: CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1csc(-c2cccs2)n1
• InChI: InChI=1S/C21H21N3O2S2/c1-24(12-14-4-6-15(7-5-14)20(26)22-16-8-9-16)19(25)11-17-13-28-21(23-17)18-3-2-10-27-18/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,22,26)
• InChIKey: UBDFYAPZNOKALI-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide?

The IUPAC name of N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide (CID 38392360) is N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide?

The canonical SMILES for N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1csc(-c2cccs2)n1.

What is the InChIKey of N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide?

The InChIKey is UBDFYAPZNOKALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-24(12-14-4-6-15(7-5-14)20(26)22-16-8-9-16)19(25)11-17-13-28-21(23-17)18-3-2-10-27-18/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,22,26).

What are the key properties of N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide?

N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 38392360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).