4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide

C23H23N3O2S — CID 1458875

About 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide

4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 1458875) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 1458875
• Molecular Formula: C23H23N3O2S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.15
• IUPAC Name: 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
• SMILES: CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccc(C)cc4)n3)cc2C[C@H]1C
• InChI: InChI=1S/C23H23N3O2S/c1-4-21(27)26-15(3)11-18-12-17(9-10-20(18)26)19-13-29-23(24-19)25-22(28)16-7-5-14(2)6-8-16/h5-10,12-13,15H,4,11H2,1-3H3,(H,24,25,28)/t15-/m1/s1
• InChIKey: SNSQRVZQZOGFIL-OAHLLOKOSA-N
• XLogP: 5.06
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 1458875) is 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide is CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccc(C)cc4)n3)cc2C[C@H]1C.

What is the InChIKey of 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is SNSQRVZQZOGFIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-21(27)26-15(3)11-18-12-17(9-10-20(18)26)19-13-29-23(24-19)25-22(28)16-7-5-14(2)6-8-16/h5-10,12-13,15H,4,11H2,1-3H3,(H,24,25,28)/t15-/m1/s1.

What are the key properties of 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide?

4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1458875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).