5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C19H19BrClN3O3S — CID 43997358

About 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 43997358) has the molecular formula C19H19BrClN3O3S and a molecular weight of 484.80 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
• PubChem CID: 43997358
• Molecular Formula: C19H19BrClN3O3S
• Molecular Weight: 484.80 g/mol
• Exact Mass: 483.00
• IUPAC Name: 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
• SMILES: Cc1c(Cl)ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(Br)o3)nc12
• InChI: InChI=1S/C19H19BrClN3O3S/c1-12-13(21)2-4-15-17(12)22-19(28-15)24(7-6-23-8-10-26-11-9-23)18(25)14-3-5-16(20)27-14/h2-5H,6-11H2,1H3
• InChIKey: MMQKCDIJOZIVAR-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 58.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.80
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

The IUPAC name of 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 43997358) is 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is Cc1c(Cl)ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(Br)o3)nc12.

What is the InChIKey of 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

The InChIKey is MMQKCDIJOZIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O3S/c1-12-13(21)2-4-15-17(12)22-19(28-15)24(7-6-23-8-10-26-11-9-23)18(25)14-3-5-16(20)27-14/h2-5H,6-11H2,1H3.

What are the key properties of 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?

5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 484.80 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 43997358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).