1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one

C15H20N4O2S — CID 53148493

IUPAC1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCN1CCN(C(=O)CC2Sc3ncccc3N(C)C2=O)CC1
InChIInChI=1S/C15H20N4O2S/c1-17-6-8-19(9-7-17)13(20)10-12-15(21)18(2)11-4-3-5-16-14(11)22-12/h3-5,12H,6-10H2,1-2H3
InChIKeySOXKWNOQKNNUDM-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.68
Rot. Bonds2

About 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one

1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 53148493) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID53148493
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCN1CCN(C(=O)CC2Sc3ncccc3N(C)C2=O)CC1
InChIInChI=1S/C15H20N4O2S/c1-17-6-8-19(9-7-17)13(20)10-12-15(21)18(2)11-4-3-5-16-14(11)22-12/h3-5,12H,6-10H2,1-2H3
InChIKeySOXKWNOQKNNUDM-UHFFFAOYSA-N
XLogP0.68
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 53148493) is 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one is CN1CCN(C(=O)CC2Sc3ncccc3N(C)C2=O)CC1.
What is the InChIKey of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is SOXKWNOQKNNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-17-6-8-19(9-7-17)13(20)10-12-15(21)18(2)11-4-3-5-16-14(11)22-12/h3-5,12H,6-10H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 320.42 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 53148493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).