5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride

C19H21BrClN3O3S2 — CID 18583236

About 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride

5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 18583236) has the molecular formula C19H21BrClN3O3S2 and a molecular weight of 518.89 g/mol. Its IUPAC name is 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
• PubChem CID: 18583236
• Molecular Formula: C19H21BrClN3O3S2
• Molecular Weight: 518.89 g/mol
• Exact Mass: 516.99
• IUPAC Name: 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
• SMILES: COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(Br)s3)sc2c1.Cl
• InChI: InChI=1S/C19H20BrN3O3S2.ClH/c1-25-13-2-3-14-16(12-13)28-19(21-14)23(7-6-22-8-10-26-11-9-22)18(24)15-4-5-17(20)27-15;/h2-5,12H,6-11H2,1H3;1H
• InChIKey: QVMLFUHFMQZYSS-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 54.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.89
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?

The IUPAC name of 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 18583236) is 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?

The canonical SMILES for 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride is COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(Br)s3)sc2c1.Cl.

What is the InChIKey of 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?

The InChIKey is QVMLFUHFMQZYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S2.ClH/c1-25-13-2-3-14-16(12-13)28-19(21-14)23(7-6-22-8-10-26-11-9-22)18(24)15-4-5-17(20)27-15;/h2-5,12H,6-11H2,1H3;1H.

What are the key properties of 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?

5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 518.89 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 18583236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).