N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide

C23H24N4O3S — CID 30462070

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 30462070) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
• PubChem CID: 30462070
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CCn2cccn2)c2nc3c(C)cc(C)cc3s2)c1
• InChI: InChI=1S/C23H24N4O3S/c1-15-10-16(2)21-20(11-15)31-23(25-21)27(9-8-26-7-5-6-24-26)22(28)17-12-18(29-3)14-19(13-17)30-4/h5-7,10-14H,8-9H2,1-4H3
• InChIKey: DSSDPYBWFXBQAJ-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 69.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?

The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 30462070) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide.

What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?

The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide is COc1cc(OC)cc(C(=O)N(CCn2cccn2)c2nc3c(C)cc(C)cc3s2)c1.

What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?

The InChIKey is DSSDPYBWFXBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-10-16(2)21-20(11-15)31-23(25-21)27(9-8-26-7-5-6-24-26)22(28)17-12-18(29-3)14-19(13-17)30-4/h5-7,10-14H,8-9H2,1-4H3.

What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide?

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 436.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 30462070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).