5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C20H24ClN3O2S2 — CID 41345533

About 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 41345533) has the molecular formula C20H24ClN3O2S2 and a molecular weight of 438.02 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• PubChem CID: 41345533
• Molecular Formula: C20H24ClN3O2S2
• Molecular Weight: 438.02 g/mol
• Exact Mass: 437.10
• IUPAC Name: 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• SMILES: CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(Cl)s3)nc12
• InChI: InChI=1S/C20H24ClN3O2S2/c1-4-23(5-2)12-13-24(19(25)16-10-11-17(21)27-16)20-22-18-14(26-6-3)8-7-9-15(18)28-20/h7-11H,4-6,12-13H2,1-3H3
• InChIKey: QQXVMRGLIJNUAO-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.02
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 41345533) is 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(Cl)s3)nc12.

What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The InChIKey is QQXVMRGLIJNUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S2/c1-4-23(5-2)12-13-24(19(25)16-10-11-17(21)27-16)20-22-18-14(26-6-3)8-7-9-15(18)28-20/h7-11H,4-6,12-13H2,1-3H3.

What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 438.02 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 41345533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).