5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C19H22ClN3O2S2 — CID 41344916

About 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 41344916) has the molecular formula C19H22ClN3O2S2 and a molecular weight of 423.99 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• PubChem CID: 41344916
• Molecular Formula: C19H22ClN3O2S2
• Molecular Weight: 423.99 g/mol
• Exact Mass: 423.08
• IUPAC Name: 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(OC)cc2s1
• InChI: InChI=1S/C19H22ClN3O2S2/c1-4-22(5-2)10-11-23(18(24)15-8-9-17(20)26-15)19-21-14-7-6-13(25-3)12-16(14)27-19/h6-9,12H,4-5,10-11H2,1-3H3
• InChIKey: MUESLGFOLQBJDL-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.99
LogP ≤ 5	5.01
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-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 41344916) is 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CCN(CC)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(OC)cc2s1.

What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The InChIKey is MUESLGFOLQBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S2/c1-4-22(5-2)10-11-23(18(24)15-8-9-17(20)26-15)19-21-14-7-6-13(25-3)12-16(14)27-19/h6-9,12H,4-5,10-11H2,1-3H3.

What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 423.99 g/mol, XLogP of 5.01, 8 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-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 41344916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).