N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C19H23N3O3S — CID 166216398

About N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 166216398) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 166216398
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• SMILES: COc1ccc2c(c1)CCN2C(=O)Cc1csc(NC(=O)C(C)(C)C)n1
• InChI: InChI=1S/C19H23N3O3S/c1-19(2,3)17(24)21-18-20-13(11-26-18)10-16(23)22-8-7-12-9-14(25-4)5-6-15(12)22/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21,24)
• InChIKey: WAJOGNKHVFRTMW-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 166216398) is N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccc2c(c1)CCN2C(=O)Cc1csc(NC(=O)C(C)(C)C)n1.

What is the InChIKey of N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The InChIKey is WAJOGNKHVFRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-19(2,3)17(24)21-18-20-13(11-26-18)10-16(23)22-8-7-12-9-14(25-4)5-6-15(12)22/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21,24).

What are the key properties of N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 166216398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).