2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one

C15H13N3O3S — CID 973898

IUPAC2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCOc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1
InChIInChI=1S/C15H13N3O3S/c1-20-9-5-6-12(21-2)11(8-9)17-15-18-13(19)10-4-3-7-16-14(10)22-15/h3-8H,1-2H3,(H,17,18,19)
InChIKeyOJZDSQQBUYCBJW-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.81
Rot. Bonds4

About 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one

2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 973898) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID973898
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCOc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1
InChIInChI=1S/C15H13N3O3S/c1-20-9-5-6-12(21-2)11(8-9)17-15-18-13(19)10-4-3-7-16-14(10)22-15/h3-8H,1-2H3,(H,17,18,19)
InChIKeyOJZDSQQBUYCBJW-UHFFFAOYSA-N
XLogP2.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
2-[(2,5-Dimethoxy-phenylcarbamoyl)-methylsulfanyl]-nicotinic acid
CID 652069
2-{[4-(benzyloxy)phenyl]amino}-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 1258664
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929
N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093844
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 1172886
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766
2-[2,3-Dihydro-1,4-benzodioxin-6-yl(ethyl)amino]pyrido[3,2-e][1,3]thiazin-4-one
CID 118727810
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2087855
N-(3,4-dimethoxyphenyl)-2-(methylthio)nicotinamide
CID 2101619
N-(3,5-Dimethoxyphenyl)-2-(methylthio)nicotinamide
CID 2128437

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 973898) is 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one is COc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is OJZDSQQBUYCBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-9-5-6-12(21-2)11(8-9)17-15-18-13(19)10-4-3-7-16-14(10)22-15/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 315.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 973898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).