N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide

C14H15N5O3S — CID 72897224

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCc1nnsc1CN(C)C(=O)CN1C(=O)COc2cccnc21
InChIInChI=1S/C14H15N5O3S/c1-9-11(23-17-16-9)6-18(2)12(20)7-19-13(21)8-22-10-4-3-5-15-14(10)19/h3-5H,6-8H2,1-2H3
InChIKeyYLQMZSIFSAWFDA-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.63
Rot. Bonds4

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 72897224) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID72897224
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESCc1nnsc1CN(C)C(=O)CN1C(=O)COc2cccnc21
InChIInChI=1S/C14H15N5O3S/c1-9-11(23-17-16-9)6-18(2)12(20)7-19-13(21)8-22-10-4-3-5-15-14(10)19/h3-5H,6-8H2,1-2H3
InChIKeyYLQMZSIFSAWFDA-UHFFFAOYSA-N
XLogP0.63
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 72897224) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is Cc1nnsc1CN(C)C(=O)CN1C(=O)COc2cccnc21.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is YLQMZSIFSAWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-9-11(23-17-16-9)6-18(2)12(20)7-19-13(21)8-22-10-4-3-5-15-14(10)19/h3-5H,6-8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 72897224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).