N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C19H20FN3O2S — CID 7507331

About N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7507331) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 7507331
• Molecular Formula: C19H20FN3O2S
• Molecular Weight: 373.45 g/mol
• Exact Mass: 373.13
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(F)c3)sc2c1
• InChI: InChI=1S/C19H20FN3O2S/c1-22(2)9-10-23(18(24)13-5-4-6-14(20)11-13)19-21-16-8-7-15(25-3)12-17(16)26-19/h4-8,11-12H,9-10H2,1-3H3
• InChIKey: NXCQEGRMASCIAL-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.45
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7507331) is N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(F)c3)sc2c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is NXCQEGRMASCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-22(2)9-10-23(18(24)13-5-4-6-14(20)11-13)19-21-16-8-7-15(25-3)12-17(16)26-19/h4-8,11-12H,9-10H2,1-3H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?

N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 373.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7507331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).