2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C24H28N2O2S — CID 16938822

About 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938822) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 16938822
• Molecular Formula: C24H28N2O2S
• Molecular Weight: 408.57 g/mol
• Exact Mass: 408.19
• IUPAC Name: 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• SMILES: Cc1ccc(C(=O)N(CC2CCCO2)c2nc3c(C(C)C)cccc3s2)c(C)c1
• InChI: InChI=1S/C24H28N2O2S/c1-15(2)19-8-5-9-21-22(19)25-24(29-21)26(14-18-7-6-12-28-18)23(27)20-11-10-16(3)13-17(20)4/h5,8-11,13,15,18H,6-7,12,14H2,1-4H3
• InChIKey: QQMLHETZYUIXMZ-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.57
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938822) is 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc(C(=O)N(CC2CCCO2)c2nc3c(C(C)C)cccc3s2)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is QQMLHETZYUIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-15(2)19-8-5-9-21-22(19)25-24(29-21)26(14-18-7-6-12-28-18)23(27)20-11-10-16(3)13-17(20)4/h5,8-11,13,15,18H,6-7,12,14H2,1-4H3.

What are the key properties of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 408.57 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).