[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

C15H15N3O6S — CID 55371145

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESO=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCc1ccco1
InChIInChI=1S/C15H15N3O6S/c19-14(16-8-12-2-1-6-23-12)10-24-15(20)11-3-4-13-17-25(21,22)7-5-18(13)9-11/h1-4,6,9H,5,7-8,10H2,(H,16,19)
InChIKeyYDTJXXAIOVXXOW-UHFFFAOYSA-N
MW365.37 g/mol
LogP-0.06
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (PubChem CID 55371145) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
PubChem CID55371145
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
SMILESO=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCc1ccco1
InChIInChI=1S/C15H15N3O6S/c19-14(16-8-12-2-1-6-23-12)10-24-15(20)11-3-4-13-17-25(21,22)7-5-18(13)9-11/h1-4,6,9H,5,7-8,10H2,(H,16,19)
InChIKeyYDTJXXAIOVXXOW-UHFFFAOYSA-N
XLogP-0.06
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5029985
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971743
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2355514
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552464

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate (CID 55371145) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is O=C(COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
The InChIKey is YDTJXXAIOVXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-14(16-8-12-2-1-6-23-12)10-24-15(20)11-3-4-13-17-25(21,22)7-5-18(13)9-11/h1-4,6,9H,5,7-8,10H2,(H,16,19).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate has a molecular weight of 365.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate is sourced from PubChem (CID 55371145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).