N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide

C23H19F2N3O2S — CID 3226552

About N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide

N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide (PubChem CID 3226552) has the molecular formula C23H19F2N3O2S and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide.

Molecular Properties

• Compound Name: N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide
• PubChem CID: 3226552
• Molecular Formula: C23H19F2N3O2S
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.12
• IUPAC Name: N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide
• SMILES: CC1Cc2cc(-c3csc(NC(=O)c4ccc(F)cc4F)n3)ccc2N1C(=O)C1CC1
• InChI: InChI=1S/C23H19F2N3O2S/c1-12-8-15-9-14(4-7-20(15)28(12)22(30)13-2-3-13)19-11-31-23(26-19)27-21(29)17-6-5-16(24)10-18(17)25/h4-7,9-13H,2-3,8H2,1H3,(H,26,27,29)
• InChIKey: GKORNBAQKNDOEL-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide (CID 3226552) is N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide.

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

The canonical SMILES for N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide is CC1Cc2cc(-c3csc(NC(=O)c4ccc(F)cc4F)n3)ccc2N1C(=O)C1CC1.

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

The InChIKey is GKORNBAQKNDOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2S/c1-12-8-15-9-14(4-7-20(15)28(12)22(30)13-2-3-13)19-11-31-23(26-19)27-21(29)17-6-5-16(24)10-18(17)25/h4-7,9-13H,2-3,8H2,1H3,(H,26,27,29).

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

N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide has a molecular weight of 439.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 3226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).