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

C12H9N3O2S — CID 2217458

IUPAC2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(NCc2ccco2)sc2ncccc12
InChIInChI=1S/C12H9N3O2S/c16-10-9-4-1-5-13-11(9)18-12(15-10)14-7-8-3-2-6-17-8/h1-6H,7H2,(H,14,15,16)
InChIKeyDCMDRUNBTOYUFA-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.26
Rot. Bonds3

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

2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 2217458) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID2217458
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(NCc2ccco2)sc2ncccc12
InChIInChI=1S/C12H9N3O2S/c16-10-9-4-1-5-13-11(9)18-12(15-10)14-7-8-3-2-6-17-8/h1-6H,7H2,(H,14,15,16)
InChIKeyDCMDRUNBTOYUFA-UHFFFAOYSA-N
XLogP2.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 2090615
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
1-(2-Furylmethyl)-2-imino-10-methyl-5-oxo-N-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1524115
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2998762
N-(2-furylmethyl)-4-oxo-3-pentyl-2-[(pyridin-4-ylmethyl)thio]-3,4-dihydroquinazoline-7-carboxamide
CID 3242749
2-(2-Oxopyrrolidin-1-yl)ethyl 2-[(1-{[(2-furylmethyl)amino]carbonyl}propyl)thio]nicotinate
CID 3243185
Ethyl 2-[(1-{[(furan-2-YL)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate
CID 3430352
(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127031375
(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127031376
8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175085
2-chloro-N-(2-furylmethyl)nicotinamide
CID 3571844
N-[2-(furan-2-yl)-2-(piperidin-1-yl)ethyl]-2-(methylsulfanyl)pyridine-3-carboxamide
CID 4801975

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one (CID 2217458) is 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one is O=c1nc(NCc2ccco2)sc2ncccc12.
What is the InChIKey of 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is DCMDRUNBTOYUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c16-10-9-4-1-5-13-11(9)18-12(15-10)14-7-8-3-2-6-17-8/h1-6H,7H2,(H,14,15,16).
What are the key properties of 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 259.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 2217458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).