N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide

C23H24N4O2S — CID 43980486

About N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 43980486) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 43980486
• Molecular Formula: C23H24N4O2S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.16
• IUPAC Name: N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide
• SMILES: COCCn1/c(=N/C(=O)c2cnn(-c3ccccc3)c2C)sc2cc(C)c(C)cc21
• InChI: InChI=1S/C23H24N4O2S/c1-15-12-20-21(13-16(15)2)30-23(26(20)10-11-29-4)25-22(28)19-14-24-27(17(19)3)18-8-6-5-7-9-18/h5-9,12-14H,10-11H2,1-4H3/b25-23-
• InChIKey: KKXFZSGLNQRGHF-BZZOAKBMSA-N
• XLogP: 4.20
• TPSA: 61.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 43980486) is N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide is COCCn1/c(=N/C(=O)c2cnn(-c3ccccc3)c2C)sc2cc(C)c(C)cc21.

What is the InChIKey of N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is KKXFZSGLNQRGHF-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15-12-20-21(13-16(15)2)30-23(26(20)10-11-29-4)25-22(28)19-14-24-27(17(19)3)18-8-6-5-7-9-18/h5-9,12-14H,10-11H2,1-4H3/b25-23-.

What are the key properties of N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide?

N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43980486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).