(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one

About (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one

(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 67350157) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
PubChem CID	67350157
Molecular Formula	C24H22ClN5O4S
Molecular Weight	511.99 g/mol
Exact Mass	511.11
IUPAC Name	(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
SMILES	O=C1CSc2ccc(N3C[C@@H](CCCNC4Cn5c(=O)ccc6ccc(Cl)c4c65)OC3=O)nc2N1
InChI	InChI=1S/C24H22ClN5O4S/c25-15-5-3-13-4-8-20(32)30-11-16(21(15)22(13)30)26-9-1-2-14-10-29(24(33)34-14)18-7-6-17-23(27-18)28-19(31)12-35-17/h3-8,14,16,26H,1-2,9-12H2,(H,27,28,31)/t14-,16?/m1/s1
InChIKey	JBKVVKPADZIREN-IURRXHLWSA-N
XLogP	3.54
TPSA	105.56 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.99
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one (CID 67350157) is (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one is O=C1CSc2ccc(N3C[C@@H](CCCNC4Cn5c(=O)ccc6ccc(Cl)c4c65)OC3=O)nc2N1.

What is the InChIKey of (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

The InChIKey is JBKVVKPADZIREN-IURRXHLWSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c25-15-5-3-13-4-8-20(32)30-11-16(21(15)22(13)30)26-9-1-2-14-10-29(24(33)34-14)18-7-6-17-23(27-18)28-19(31)12-35-17/h3-8,14,16,26H,1-2,9-12H2,(H,27,28,31)/t14-,16?/m1/s1.

What are the key properties of (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one?

(5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 511.99 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[3-[(5-chloro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)amino]propyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67350157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).