N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide

C20H19ClN4OS2 — CID 16799066

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 16799066) has the molecular formula C20H19ClN4OS2 and a molecular weight of 430.99 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide
• PubChem CID: 16799066
• Molecular Formula: C20H19ClN4OS2
• Molecular Weight: 430.99 g/mol
• Exact Mass: 430.07
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide
• SMILES: CN(C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Cl)cc2s1
• InChI: InChI=1S/C20H19ClN4OS2/c1-24(2)8-3-9-25(20-23-16-7-5-14(21)11-18(16)28-20)19(26)13-4-6-15-17(10-13)27-12-22-15/h4-7,10-12H,3,8-9H2,1-2H3
• InChIKey: LYNNTIPZTYTMPE-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.99
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide (CID 16799066) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide is CN(C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Cl)cc2s1.

What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide?

The InChIKey is LYNNTIPZTYTMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS2/c1-24(2)8-3-9-25(20-23-16-7-5-14(21)11-18(16)28-20)19(26)13-4-6-15-17(10-13)27-12-22-15/h4-7,10-12H,3,8-9H2,1-2H3.

What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide?

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 430.99 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16799066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).