N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

C18H14N4O2S — CID 41180061

About N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 41180061) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
• PubChem CID: 41180061
• Molecular Formula: C18H14N4O2S
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.08
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
• SMILES: Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccno3)sc2c1
• InChI: InChI=1S/C18H14N4O2S/c1-12-5-6-14-16(10-12)25-18(21-14)22(11-13-4-2-3-8-19-13)17(23)15-7-9-20-24-15/h2-10H,11H2,1H3
• InChIKey: IGJAEMXUZACZGC-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 41180061) is N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccno3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?

The InChIKey is IGJAEMXUZACZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-12-5-6-14-16(10-12)25-18(21-14)22(11-13-4-2-3-8-19-13)17(23)15-7-9-20-24-15/h2-10H,11H2,1H3.

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 41180061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).