4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C14H15N3O2S — CID 72895235

IUPAC4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCc1nc(C)sc1CN1C(=O)COc2cccnc21
InChIInChI=1S/C14H15N3O2S/c1-3-10-12(20-9(2)16-10)7-17-13(18)8-19-11-5-4-6-15-14(11)17/h4-6H,3,7-8H2,1-2H3
InChIKeyFUUGIHADFOCEFA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.33
Rot. Bonds3

About 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72895235) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72895235
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCc1nc(C)sc1CN1C(=O)COc2cccnc21
InChIInChI=1S/C14H15N3O2S/c1-3-10-12(20-9(2)16-10)7-17-13(18)8-19-11-5-4-6-15-14(11)17/h4-6H,3,7-8H2,1-2H3
InChIKeyFUUGIHADFOCEFA-UHFFFAOYSA-N
XLogP2.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72895235) is 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is CCc1nc(C)sc1CN1C(=O)COc2cccnc21.
What is the InChIKey of 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is FUUGIHADFOCEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-10-12(20-9(2)16-10)7-17-13(18)8-19-11-5-4-6-15-14(11)17/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 289.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72895235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).