3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide

C27H31N5OS — CID 24937242

About 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide

3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24937242) has the molecular formula C27H31N5OS and a molecular weight of 473.65 g/mol. Its IUPAC name is 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
• PubChem CID: 24937242
• Molecular Formula: C27H31N5OS
• Molecular Weight: 473.65 g/mol
• Exact Mass: 473.22
• IUPAC Name: 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
• SMILES: CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1
• InChI: InChI=1S/C27H31N5OS/c1-27(2,25(33)30-26-31-28-18-34-26)24(19-10-6-5-7-11-19)20-14-15-23-21(16-20)17-29-32(23)22-12-8-3-4-9-13-22/h5-7,10-11,14-18,22,24H,3-4,8-9,12-13H2,1-2H3,(H,30,31,33)
• InChIKey: WIRCDWBPRJBJPE-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.65
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

The IUPAC name of 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24937242) is 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

What is the SMILES notation for 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

The canonical SMILES for 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2C2CCCCCC2)c1.

What is the InChIKey of 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

The InChIKey is WIRCDWBPRJBJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5OS/c1-27(2,25(33)30-26-31-28-18-34-26)24(19-10-6-5-7-11-19)20-14-15-23-21(16-20)17-29-32(23)22-12-8-3-4-9-13-22/h5-7,10-11,14-18,22,24H,3-4,8-9,12-13H2,1-2H3,(H,30,31,33).

What are the key properties of 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?

3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 473.65 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24937242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).