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

C17H20Cl2N4O2S — CID 45283913

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

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 45283913) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
• PubChem CID: 45283913
• Molecular Formula: C17H20Cl2N4O2S
• Molecular Weight: 415.35 g/mol
• Exact Mass: 414.07
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
• SMILES: Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)on1.Cl
• InChI: InChI=1S/C17H19ClN4O2S.ClH/c1-11-9-14(24-20-11)16(23)22(8-4-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17;/h5-6,9-10H,4,7-8H2,1-3H3;1H
• InChIKey: QIEKHZSPAWIMJJ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.35
LogP ≤ 5	4.27
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]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride (CID 45283913) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride.

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

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)on1.Cl.

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

The InChIKey is QIEKHZSPAWIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S.ClH/c1-11-9-14(24-20-11)16(23)22(8-4-7-21(2)3)17-19-13-6-5-12(18)10-15(13)25-17;/h5-6,9-10H,4,7-8H2,1-3H3;1H.

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

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 415.35 g/mol, XLogP of 4.27, 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]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 45283913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).