1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one

C17H24N4O2S — CID 53148521

IUPAC1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC(C)N1CCN(C(=O)CC2Sc3ncccc3N(C)C2=O)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)20-7-9-21(10-8-20)15(22)11-14-17(23)19(3)13-5-4-6-18-16(13)24-14/h4-6,12,14H,7-11H2,1-3H3
InChIKeyPLYKCNRXKRFKNV-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.46
Rot. Bonds3

About 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one

1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 53148521) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID53148521
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC(C)N1CCN(C(=O)CC2Sc3ncccc3N(C)C2=O)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)20-7-9-21(10-8-20)15(22)11-14-17(23)19(3)13-5-4-6-18-16(13)24-14/h4-6,12,14H,7-11H2,1-3H3
InChIKeyPLYKCNRXKRFKNV-UHFFFAOYSA-N
XLogP1.46
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.46
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-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 53148521) is 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one is CC(C)N1CCN(C(=O)CC2Sc3ncccc3N(C)C2=O)CC1.
What is the InChIKey of 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is PLYKCNRXKRFKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)20-7-9-21(10-8-20)15(22)11-14-17(23)19(3)13-5-4-6-18-16(13)24-14/h4-6,12,14H,7-11H2,1-3H3.
What are the key properties of 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one?
1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 348.47 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 53148521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).