2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C17H19N3O3S — CID 53148557

IUPAC2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCCN1C(=O)C(CC(=O)NCc2ccc(C)o2)Sc2ncccc21
InChIInChI=1S/C17H19N3O3S/c1-3-20-13-5-4-8-18-16(13)24-14(17(20)22)9-15(21)19-10-12-7-6-11(2)23-12/h4-8,14H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyZQULBTWSYXUIGU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.52
Rot. Bonds5

About 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 53148557) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID53148557
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCCN1C(=O)C(CC(=O)NCc2ccc(C)o2)Sc2ncccc21
InChIInChI=1S/C17H19N3O3S/c1-3-20-13-5-4-8-18-16(13)24-14(17(20)22)9-15(21)19-10-12-7-6-11(2)23-12/h4-8,14H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyZQULBTWSYXUIGU-UHFFFAOYSA-N
XLogP2.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 53148557) is 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is CCN1C(=O)C(CC(=O)NCc2ccc(C)o2)Sc2ncccc21.
What is the InChIKey of 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is ZQULBTWSYXUIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-20-13-5-4-8-18-16(13)24-14(17(20)22)9-15(21)19-10-12-7-6-11(2)23-12/h4-8,14H,3,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 53148557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).