3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

C16H10ClN3O3S — CID 57226618

IUPAC3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
SMILESCN1Sc2ccccc2-c2oc(=O)n(-c3cccc(Cl)n3)c(=O)c21
InChIInChI=1S/C16H10ClN3O3S/c1-19-13-14(9-5-2-3-6-10(9)24-19)23-16(22)20(15(13)21)12-8-4-7-11(17)18-12/h2-8H,1H3
InChIKeyMZAWKYKNFZNMOA-UHFFFAOYSA-N
MW359.79 g/mol
LogP2.96
Rot. Bonds1

About 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione

3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione (PubChem CID 57226618) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
PubChem CID57226618
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
SMILESCN1Sc2ccccc2-c2oc(=O)n(-c3cccc(Cl)n3)c(=O)c21
InChIInChI=1S/C16H10ClN3O3S/c1-19-13-14(9-5-2-3-6-10(9)24-19)23-16(22)20(15(13)21)12-8-4-7-11(17)18-12/h2-8H,1H3
InChIKeyMZAWKYKNFZNMOA-UHFFFAOYSA-N
XLogP2.96
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione?
The IUPAC name of 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione (CID 57226618) is 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione.
What is the SMILES notation for 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione?
The canonical SMILES for 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione is CN1Sc2ccccc2-c2oc(=O)n(-c3cccc(Cl)n3)c(=O)c21.
What is the InChIKey of 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione?
The InChIKey is MZAWKYKNFZNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c1-19-13-14(9-5-2-3-6-10(9)24-19)23-16(22)20(15(13)21)12-8-4-7-11(17)18-12/h2-8H,1H3.
What are the key properties of 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione?
3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione has a molecular weight of 359.79 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-pyridinyl)-5-methyl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione is sourced from PubChem (CID 57226618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).