(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

C25H25N5O4S — CID 86290670

IUPAC(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1cncc(-c2cccc(CNCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2)n1
InChIInChI=1S/C25H25N5O4S/c1-33-24-13-27-12-21(29-24)17-4-2-3-16(9-17)11-26-8-7-19-14-30(25(32)34-19)18-5-6-22-20(10-18)28-23(31)15-35-22/h2-6,9-10,12-13,19,26H,7-8,11,14-15H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyCXNDNFIGBVBVBB-LJQANCHMSA-N
MW491.57 g/mol
LogP3.70
Rot. Bonds8

About (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 86290670) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID86290670
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1cncc(-c2cccc(CNCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2)n1
InChIInChI=1S/C25H25N5O4S/c1-33-24-13-27-12-21(29-24)17-4-2-3-16(9-17)11-26-8-7-19-14-30(25(32)34-19)18-5-6-22-20(10-18)28-23(31)15-35-22/h2-6,9-10,12-13,19,26H,7-8,11,14-15H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyCXNDNFIGBVBVBB-LJQANCHMSA-N
XLogP3.70
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-5-[2-[[3-(4-methoxyphenyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 86290510
(5R)-5-[2-[[3-(4-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 86290587
(5S)-5-[3-[(7-fluoro-2-methoxyquinoxalin-6-yl)methylamino]propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 45279181
(5S)-5-[2-[[(9S)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 71111314
(5S)-5-[3-(naphthalen-1-ylmethylamino)propyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66737576
5-[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67223044
(5S)-5-[[2-[(9S)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67223323
4-hydroxy-3-[4-[[2-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2-pyridinyl]benzonitrile
CID 136954899
(5S)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-propyl-1,3-oxazolidin-2-one
CID 123625224
3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-[2-(2-quinolin-2-ylethylamino)ethyl]-1,3-oxazolidin-2-one
CID 67308495
(5R)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-5-[2-[[(3S)-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 67350329
(5R)-5-(chloromethyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 67131156

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one (CID 86290670) is (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is COc1cncc(-c2cccc(CNCC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)c2)n1.
What is the InChIKey of (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is CXNDNFIGBVBVBB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-33-24-13-27-12-21(29-24)17-4-2-3-16(9-17)11-26-8-7-19-14-30(25(32)34-19)18-5-6-22-20(10-18)28-23(31)15-35-22/h2-6,9-10,12-13,19,26H,7-8,11,14-15H2,1H3,(H,28,31)/t19-/m1/s1.
What are the key properties of (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one?
(5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 491.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[[3-(6-methoxypyrazin-2-yl)phenyl]methylamino]ethyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86290670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).