5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one

C13H13N3O4S — CID 90281148

IUPAC5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one
SMILESO=C1CSc2ccc(-n3cc(CCCO)oc3=O)nc2N1
InChIInChI=1S/C13H13N3O4S/c17-5-1-2-8-6-16(13(19)20-8)10-4-3-9-12(14-10)15-11(18)7-21-9/h3-4,6,17H,1-2,5,7H2,(H,14,15,18)
InChIKeyNQMHUBKWYIETGM-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.79
Rot. Bonds4

About 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one

5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one (PubChem CID 90281148) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one
PubChem CID90281148
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one
SMILESO=C1CSc2ccc(-n3cc(CCCO)oc3=O)nc2N1
InChIInChI=1S/C13H13N3O4S/c17-5-1-2-8-6-16(13(19)20-8)10-4-3-9-12(14-10)15-11(18)7-21-9/h3-4,6,17H,1-2,5,7H2,(H,14,15,18)
InChIKeyNQMHUBKWYIETGM-UHFFFAOYSA-N
XLogP0.79
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one?
The IUPAC name of 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one (CID 90281148) is 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one?
The canonical SMILES for 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one is O=C1CSc2ccc(-n3cc(CCCO)oc3=O)nc2N1.
What is the InChIKey of 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one?
The InChIKey is NQMHUBKWYIETGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-5-1-2-8-6-16(13(19)20-8)10-4-3-9-12(14-10)15-11(18)7-21-9/h3-4,6,17H,1-2,5,7H2,(H,14,15,18).
What are the key properties of 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one?
5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one has a molecular weight of 307.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazol-2-one is sourced from PubChem (CID 90281148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).