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

C18H18BrClFN3O2S2 — CID 18583127

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

5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 18583127) has the molecular formula C18H18BrClFN3O2S2 and a molecular weight of 506.85 g/mol. Its IUPAC name is 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
• PubChem CID: 18583127
• Molecular Formula: C18H18BrClFN3O2S2
• Molecular Weight: 506.85 g/mol
• Exact Mass: 504.97
• IUPAC Name: 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
• SMILES: Cl.O=C(c1ccc(Br)s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
• InChI: InChI=1S/C18H17BrFN3O2S2.ClH/c19-15-5-4-14(26-15)17(24)23(7-6-22-8-10-25-11-9-22)18-21-16-12(20)2-1-3-13(16)27-18;/h1-5H,6-11H2;1H
• InChIKey: ACTYNNVOGANIFU-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 45.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.85
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 18583127) is 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride.

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

The canonical SMILES for 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(c1ccc(Br)s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.

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

The InChIKey is ACTYNNVOGANIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O2S2.ClH/c19-15-5-4-14(26-15)17(24)23(7-6-22-8-10-25-11-9-22)18-21-16-12(20)2-1-3-13(16)27-18;/h1-5H,6-11H2;1H.

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

5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 506.85 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 18583127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).