N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C18H22N4O3S — CID 16847852

About N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16847852) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 16847852
• Molecular Formula: C18H22N4O3S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.14
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc2nc(N(CCCN(C)C)C(=O)c3cc(C)on3)sc2c1
• InChI: InChI=1S/C18H22N4O3S/c1-12-10-15(20-25-12)17(23)22(9-5-8-21(2)3)18-19-14-7-6-13(24-4)11-16(14)26-18/h6-7,10-11H,5,8-9H2,1-4H3
• InChIKey: FOVUKDJWIWTWAC-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 71.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 16847852) is N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc2nc(N(CCCN(C)C)C(=O)c3cc(C)on3)sc2c1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is FOVUKDJWIWTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-10-15(20-25-12)17(23)22(9-5-8-21(2)3)18-19-14-7-6-13(24-4)11-16(14)26-18/h6-7,10-11H,5,8-9H2,1-4H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?

N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16847852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).