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

C11H10N4O2S — CID 72860249

IUPAC4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nnsc1CN1C(=O)COc2cccnc21
InChIInChI=1S/C11H10N4O2S/c1-7-9(18-14-13-7)5-15-10(16)6-17-8-3-2-4-12-11(8)15/h2-4H,5-6H2,1H3
InChIKeyPHZQZIIFKFXITG-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.17
Rot. Bonds2

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

4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72860249) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72860249
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nnsc1CN1C(=O)COc2cccnc21
InChIInChI=1S/C11H10N4O2S/c1-7-9(18-14-13-7)5-15-10(16)6-17-8-3-2-4-12-11(8)15/h2-4H,5-6H2,1H3
InChIKeyPHZQZIIFKFXITG-UHFFFAOYSA-N
XLogP1.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72860249) is 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is Cc1nnsc1CN1C(=O)COc2cccnc21.
What is the InChIKey of 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PHZQZIIFKFXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-7-9(18-14-13-7)5-15-10(16)6-17-8-3-2-4-12-11(8)15/h2-4H,5-6H2,1H3.
What are the key properties of 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 262.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72860249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).