2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one

C14H11N3O2S — CID 941565

IUPAC2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCOc1ccc(Nc2nc(=O)c3cccnc3s2)cc1
InChIInChI=1S/C14H11N3O2S/c1-19-10-6-4-9(5-7-10)16-14-17-12(18)11-3-2-8-15-13(11)20-14/h2-8H,1H3,(H,16,17,18)
InChIKeyDFYPPBIWMSRVCM-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one

2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 941565) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID941565
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCOc1ccc(Nc2nc(=O)c3cccnc3s2)cc1
InChIInChI=1S/C14H11N3O2S/c1-19-10-6-4-9(5-7-10)16-14-17-12(18)11-3-2-8-15-13(11)20-14/h2-8H,1H3,(H,16,17,18)
InChIKeyDFYPPBIWMSRVCM-UHFFFAOYSA-N
XLogP2.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2438676
3-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 3924529
N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine
CID 24793000
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
2-[(2,5-dimethoxyphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 973898
2-{[4-(benzyloxy)phenyl]amino}-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 1258664
2-[N-ethyl-N-(3,4-methylenedioxyphenyl)amino]-4H-pyrido[3,2-e]-1,3-thiazin-4-one
CID 9840343

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 941565) is 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one is COc1ccc(Nc2nc(=O)c3cccnc3s2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is DFYPPBIWMSRVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-10-6-4-9(5-7-10)16-14-17-12(18)11-3-2-8-15-13(11)20-14/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 285.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 941565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).