5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one

C22H24ClN5O3S — CID 156862476

About 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one

5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 156862476) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
• PubChem CID: 156862476
• Molecular Formula: C22H24ClN5O3S
• Molecular Weight: 473.99 g/mol
• Exact Mass: 473.13
• IUPAC Name: 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
• SMILES: NC1c2cccc(Cl)c2CC1CNCCC1CN(c2ccc3c(n2)NC(=O)CS3)C(=O)O1
• InChI: InChI=1S/C22H24ClN5O3S/c23-16-3-1-2-14-15(16)8-12(20(14)24)9-25-7-6-13-10-28(22(30)31-13)18-5-4-17-21(26-18)27-19(29)11-32-17/h1-5,12-13,20,25H,6-11,24H2,(H,26,27,29)
• InChIKey: CPBJLLPQJCWAPH-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 109.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.99
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one (CID 156862476) is 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one is NC1c2cccc(Cl)c2CC1CNCCC1CN(c2ccc3c(n2)NC(=O)CS3)C(=O)O1.

What is the InChIKey of 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is CPBJLLPQJCWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c23-16-3-1-2-14-15(16)8-12(20(14)24)9-25-7-6-13-10-28(22(30)31-13)18-5-4-17-21(26-18)27-19(29)11-32-17/h1-5,12-13,20,25H,6-11,24H2,(H,26,27,29).

What are the key properties of 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 473.99 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 156862476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).