N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H13Cl2N3OS2 — CID 41340835

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41340835) has the molecular formula C19H13Cl2N3OS2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 41340835
• Molecular Formula: C19H13Cl2N3OS2
• Molecular Weight: 434.37 g/mol
• Exact Mass: 432.99
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: O=C(Cc1ccc(Cl)s1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1
• InChI: InChI=1S/C19H13Cl2N3OS2/c20-12-4-6-15-16(9-12)27-19(23-15)24(11-13-3-1-2-8-22-13)18(25)10-14-5-7-17(21)26-14/h1-9H,10-11H2
• InChIKey: UAKDXRNGBLUISJ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 46.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 41340835) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(Cl)s1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1.

What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is UAKDXRNGBLUISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS2/c20-12-4-6-15-16(9-12)27-19(23-15)24(11-13-3-1-2-8-22-13)18(25)10-14-5-7-17(21)26-14/h1-9H,10-11H2.

What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 434.37 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41340835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).