2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C19H23N3O3S — CID 16884025

About 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16884025) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
• PubChem CID: 16884025
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
• SMILES: CC(C)COC(=O)Nc1nc(CC(=O)N2c3ccccc3CC2C)cs1
• InChI: InChI=1S/C19H23N3O3S/c1-12(2)10-25-19(24)21-18-20-15(11-26-18)9-17(23)22-13(3)8-14-6-4-5-7-16(14)22/h4-7,11-13H,8-10H2,1-3H3,(H,20,21,24)
• InChIKey: VSVUBEWPYVPZMM-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

The IUPAC name of 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16884025) is 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

The canonical SMILES for 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)COC(=O)Nc1nc(CC(=O)N2c3ccccc3CC2C)cs1.

What is the InChIKey of 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

The InChIKey is VSVUBEWPYVPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)10-25-19(24)21-18-20-15(11-26-18)9-17(23)22-13(3)8-14-6-4-5-7-16(14)22/h4-7,11-13H,8-10H2,1-3H3,(H,20,21,24).

What are the key properties of 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?

2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 373.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16884025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).