N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

C18H22N2O4S — CID 4303542

About N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (PubChem CID 4303542) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
• PubChem CID: 4303542
• Molecular Formula: C18H22N2O4S
• Molecular Weight: 362.45 g/mol
• Exact Mass: 362.13
• IUPAC Name: N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
• SMILES: COc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NC1CC1
• InChI: InChI=1S/C18H22N2O4S/c1-18(2)14(15(21)19-9-5-6-9)20-16(22)12-10(17(20)25-18)7-8-11(23-3)13(12)24-4/h7-9,14,17H,5-6H2,1-4H3,(H,19,21)
• InChIKey: AOZCEDAJYIAFAG-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.45
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?

The IUPAC name of N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide (CID 4303542) is N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is COc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?

The InChIKey is AOZCEDAJYIAFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-18(2)14(15(21)19-9-5-6-9)20-16(22)12-10(17(20)25-18)7-8-11(23-3)13(12)24-4/h7-9,14,17H,5-6H2,1-4H3,(H,19,21).

What are the key properties of N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide?

N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6,7-dimethoxy-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide is sourced from PubChem (CID 4303542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).