4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one

C11H9N3O2S — CID 72846827

IUPAC4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1nccs1
InChIInChI=1S/C11H9N3O2S/c15-10-7-16-8-2-1-3-13-11(8)14(10)6-9-12-4-5-17-9/h1-5H,6-7H2
InChIKeyPXVMKZZBOLXKFX-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.46
Rot. Bonds2

About 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one

4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72846827) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72846827
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2cccnc2N1Cc1nccs1
InChIInChI=1S/C11H9N3O2S/c15-10-7-16-8-2-1-3-13-11(8)14(10)6-9-12-4-5-17-9/h1-5H,6-7H2
InChIKeyPXVMKZZBOLXKFX-UHFFFAOYSA-N
XLogP1.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 72846827) is 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2cccnc2N1Cc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PXVMKZZBOLXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-10-7-16-8-2-1-3-13-11(8)14(10)6-9-12-4-5-17-9/h1-5H,6-7H2.
What are the key properties of 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one?
4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 247.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72846827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).