2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide

C19H14Cl2N2O4S2 — CID 30710745

About 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide

2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 30710745) has the molecular formula C19H14Cl2N2O4S2 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
• PubChem CID: 30710745
• Molecular Formula: C19H14Cl2N2O4S2
• Molecular Weight: 469.37 g/mol
• Exact Mass: 467.98
• IUPAC Name: 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide
• SMILES: COc1ccc(OC)c2sc(N(Cc3ccco3)C(=O)c3cc(Cl)sc3Cl)nc12
• InChI: InChI=1S/C19H14Cl2N2O4S2/c1-25-12-5-6-13(26-2)16-15(12)22-19(29-16)23(9-10-4-3-7-27-10)18(24)11-8-14(20)28-17(11)21/h3-8H,9H2,1-2H3
• InChIKey: UKUKDGWFZOUHEX-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 64.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.37
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide?

The IUPAC name of 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide (CID 30710745) is 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide.

What is the SMILES notation for 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide?

The canonical SMILES for 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide is COc1ccc(OC)c2sc(N(Cc3ccco3)C(=O)c3cc(Cl)sc3Cl)nc12.

What is the InChIKey of 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide?

The InChIKey is UKUKDGWFZOUHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4S2/c1-25-12-5-6-13(26-2)16-15(12)22-19(29-16)23(9-10-4-3-7-27-10)18(24)11-8-14(20)28-17(11)21/h3-8H,9H2,1-2H3.

What are the key properties of 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide?

2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 469.37 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 30710745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).