4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C27H21ClN2O2S — CID 30711514

About 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 30711514) has the molecular formula C27H21ClN2O2S and a molecular weight of 473.00 g/mol. Its IUPAC name is 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 30711514
• Molecular Formula: C27H21ClN2O2S
• Molecular Weight: 473.00 g/mol
• Exact Mass: 472.10
• IUPAC Name: 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(Cc4ccccc4)cc3)nc12
• InChI: InChI=1S/C27H21ClN2O2S/c1-18-9-14-23(28)25-24(18)29-27(33-25)30(17-22-8-5-15-32-22)26(31)21-12-10-20(11-13-21)16-19-6-3-2-4-7-19/h2-15H,16-17H2,1H3
• InChIKey: LCZVQWLUSSGITC-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.00
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 30711514) is 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(Cc4ccccc4)cc3)nc12.

What is the InChIKey of 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is LCZVQWLUSSGITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O2S/c1-18-9-14-23(28)25-24(18)29-27(33-25)30(17-22-8-5-15-32-22)26(31)21-12-10-20(11-13-21)16-19-6-3-2-4-7-19/h2-15H,16-17H2,1H3.

What are the key properties of 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 473.00 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 30711514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).