5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide

C23H13Cl2N3O4S — CID 17127399

About 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide (PubChem CID 17127399) has the molecular formula C23H13Cl2N3O4S and a molecular weight of 498.35 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
• PubChem CID: 17127399
• Molecular Formula: C23H13Cl2N3O4S
• Molecular Weight: 498.35 g/mol
• Exact Mass: 497.00
• IUPAC Name: 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2s1)c1ccco1
• InChI: InChI=1S/C23H13Cl2N3O4S/c24-12-3-5-15(25)14(10-12)17-7-8-19(32-17)22(30)26-13-4-6-16-20(11-13)33-23(27-16)28-21(29)18-2-1-9-31-18/h1-11H,(H,26,30)(H,27,28,29)
• InChIKey: FQYOWXAHFASLPI-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 97.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.35
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide?

The IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide (CID 17127399) is 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide?

The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide is O=C(Nc1nc2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2s1)c1ccco1.

What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide?

The InChIKey is FQYOWXAHFASLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O4S/c24-12-3-5-15(25)14(10-12)17-7-8-19(32-17)22(30)26-13-4-6-16-20(11-13)33-23(27-16)28-21(29)18-2-1-9-31-18/h1-11H,(H,26,30)(H,27,28,29).

What are the key properties of 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide?

5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide has a molecular weight of 498.35 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide is sourced from PubChem (CID 17127399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).