4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide

C24H20N6O2S — CID 145146561

About 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide

4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide (PubChem CID 145146561) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide
• PubChem CID: 145146561
• Molecular Formula: C24H20N6O2S
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.14
• IUPAC Name: 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4C)s3)c2)cc1
• InChI: InChI=1S/C24H20N6O2S/c1-14-19-13-25-28-21(19)11-10-20(14)27-24-30-29-23(33-24)16-4-3-5-17(12-16)26-22(31)15-6-8-18(32-2)9-7-15/h3-13H,1-2H3,(H,25,28)(H,26,31)(H,27,30)
• InChIKey: NHMRNPDHKYVYBS-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide?

The IUPAC name of 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide (CID 145146561) is 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide?

The canonical SMILES for 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4C)s3)c2)cc1.

What is the InChIKey of 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide?

The InChIKey is NHMRNPDHKYVYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-14-19-13-25-28-21(19)11-10-20(14)27-24-30-29-23(33-24)16-4-3-5-17(12-16)26-22(31)15-6-8-18(32-2)9-7-15/h3-13H,1-2H3,(H,25,28)(H,26,31)(H,27,30).

What are the key properties of 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide?

4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide has a molecular weight of 456.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 145146561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).