[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C19H19N3O4S — CID 42896385

About [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42896385) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 42896385
• Molecular Formula: C19H19N3O4S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.11
• IUPAC Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CC(OC(=O)c1cnc2n(c1=O)CCS2)C(=O)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C19H19N3O4S/c1-11(16(23)21-14-6-5-12-3-2-4-13(12)9-14)26-18(25)15-10-20-19-22(17(15)24)7-8-27-19/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,23)
• InChIKey: FDHNTJPLYPTTEX-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42896385) is [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CC(OC(=O)c1cnc2n(c1=O)CCS2)C(=O)Nc1ccc2c(c1)CCC2.

What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is FDHNTJPLYPTTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11(16(23)21-14-6-5-12-3-2-4-13(12)9-14)26-18(25)15-10-20-19-22(17(15)24)7-8-27-19/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,23).

What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 385.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42896385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).