propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate

C27H29N3O3S — CID 46946039

About propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate (PubChem CID 46946039) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
• PubChem CID: 46946039
• Molecular Formula: C27H29N3O3S
• Molecular Weight: 475.61 g/mol
• Exact Mass: 475.19
• IUPAC Name: propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
• SMILES: CCOc1ccc2c(-c3cscn3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C27H29N3O3S/c1-4-32-21-12-13-22-24(14-21)30(20-6-5-7-20)26(25(22)23-15-34-16-28-23)18-8-10-19(11-9-18)29-27(31)33-17(2)3/h8-17,20H,4-7H2,1-3H3,(H,29,31)
• InChIKey: JTPSVDNVUFFZSN-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.61
LogP ≤ 5	7.51
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-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate (CID 46946039) is propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate is CCOc1ccc2c(-c3cscn3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

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

The InChIKey is JTPSVDNVUFFZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-4-32-21-12-13-22-24(14-21)30(20-6-5-7-20)26(25(22)23-15-34-16-28-23)18-8-10-19(11-9-18)29-27(31)33-17(2)3/h8-17,20H,4-7H2,1-3H3,(H,29,31).

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

propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 475.61 g/mol, XLogP of 7.51, 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-6-ethoxy-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 46946039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).