propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate

C29H33N3O3S — CID 46946037

About propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 46946037) has the molecular formula C29H33N3O3S and a molecular weight of 503.67 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
• PubChem CID: 46946037
• Molecular Formula: C29H33N3O3S
• Molecular Weight: 503.67 g/mol
• Exact Mass: 503.22
• IUPAC Name: propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(-c3nc(C)c(C)s3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C29H33N3O3S/c1-6-34-23-14-15-24-25(16-23)32(22-8-7-9-22)27(26(24)28-30-18(4)19(5)36-28)20-10-12-21(13-11-20)31-29(33)35-17(2)3/h10-17,22H,6-9H2,1-5H3,(H,31,33)
• InChIKey: OAPCQFGSOMWDSV-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.67
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 46946037) is propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3nc(C)c(C)s3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

What is the InChIKey of propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

The InChIKey is OAPCQFGSOMWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3S/c1-6-34-23-14-15-24-25(16-23)32(22-8-7-9-22)27(26(24)28-30-18(4)19(5)36-28)20-10-12-21(13-11-20)31-29(33)35-17(2)3/h10-17,22H,6-9H2,1-5H3,(H,31,33).

What are the key properties of propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 503.67 g/mol, XLogP of 8.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 46946037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).