2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C18H20N4O4S2 — CID 51044204

About 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51044204) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 51044204
• Molecular Formula: C18H20N4O4S2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.09
• IUPAC Name: 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2nc3ccc(OC)cc3s2)s1
• InChI: InChI=1S/C18H20N4O4S2/c1-10-15(28-18(19-10)22(11(2)23)7-8-25-3)16(24)21-17-20-13-6-5-12(26-4)9-14(13)27-17/h5-6,9H,7-8H2,1-4H3,(H,20,21,24)
• InChIKey: UFGUPFKSOBNOFT-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 51044204) is 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is COCCN(C(C)=O)c1nc(C)c(C(=O)Nc2nc3ccc(OC)cc3s2)s1.

What is the InChIKey of 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is UFGUPFKSOBNOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-10-15(28-18(19-10)22(11(2)23)7-8-25-3)16(24)21-17-20-13-6-5-12(26-4)9-14(13)27-17/h5-6,9H,7-8H2,1-4H3,(H,20,21,24).

What are the key properties of 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?

2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51044204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).