2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

C20H20ClN5O4S — CID 90216287

IUPAC2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCC[C@H]1CN(c2ccc3c(n2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C20H20ClN5O4S/c21-12-4-1-5-13(22)17(12)19(28)23-8-2-3-11-9-26(20(29)30-11)15-7-6-14-18(24-15)25-16(27)10-31-14/h1,4-7,11H,2-3,8-10,22H2,(H,23,28)(H,24,25,27)/t11-/m0/s1
InChIKeyOXGZGIBUGXQMRL-NSHDSACASA-N
MW461.93 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide

2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (PubChem CID 90216287) has the molecular formula C20H20ClN5O4S and a molecular weight of 461.93 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
PubChem CID90216287
Molecular FormulaC20H20ClN5O4S
Molecular Weight461.93 g/mol
Exact Mass461.09
IUPAC Name2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
SMILESNc1cccc(Cl)c1C(=O)NCCC[C@H]1CN(c2ccc3c(n2)NC(=O)CS3)C(=O)O1
InChIInChI=1S/C20H20ClN5O4S/c21-12-4-1-5-13(22)17(12)19(28)23-8-2-3-11-9-26(20(29)30-11)15-7-6-14-18(24-15)25-16(27)10-31-14/h1,4-7,11H,2-3,8-10,22H2,(H,23,28)(H,24,25,27)/t11-/m0/s1
InChIKeyOXGZGIBUGXQMRL-NSHDSACASA-N
XLogP2.90
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide (CID 90216287) is 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is Nc1cccc(Cl)c1C(=O)NCCC[C@H]1CN(c2ccc3c(n2)NC(=O)CS3)C(=O)O1.
What is the InChIKey of 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
The InChIKey is OXGZGIBUGXQMRL-NSHDSACASA-N. The full InChI is InChI=1S/C20H20ClN5O4S/c21-12-4-1-5-13(22)17(12)19(28)23-8-2-3-11-9-26(20(29)30-11)15-7-6-14-18(24-15)25-16(27)10-31-14/h1,4-7,11H,2-3,8-10,22H2,(H,23,28)(H,24,25,27)/t11-/m0/s1.
What are the key properties of 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide?
2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide has a molecular weight of 461.93 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide is sourced from PubChem (CID 90216287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).