2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide

C21H26ClN3O3S2 — CID 41341180

About 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41341180) has the molecular formula C21H26ClN3O3S2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 41341180
• Molecular Formula: C21H26ClN3O3S2
• Molecular Weight: 468.04 g/mol
• Exact Mass: 467.11
• IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
• SMILES: CCN(CC)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(OC)ccc(OC)c2s1
• InChI: InChI=1S/C21H26ClN3O3S2/c1-5-24(6-2)11-12-25(18(26)13-14-7-10-17(22)29-14)21-23-19-15(27-3)8-9-16(28-4)20(19)30-21/h7-10H,5-6,11-13H2,1-4H3
• InChIKey: SPHFOCFXHXOKOX-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 54.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.04
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide (CID 41341180) is 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide is CCN(CC)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(OC)ccc(OC)c2s1.

What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is SPHFOCFXHXOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S2/c1-5-24(6-2)11-12-25(18(26)13-14-7-10-17(22)29-14)21-23-19-15(27-3)8-9-16(28-4)20(19)30-21/h7-10H,5-6,11-13H2,1-4H3.

What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?

2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 468.04 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41341180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).