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

C16H22N4O2S — CID 53148534

IUPAC1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCCN1C(=O)C(CC(=O)N2CCN(C)CC2)Sc2ncccc21
InChIInChI=1S/C16H22N4O2S/c1-3-20-12-5-4-6-17-15(12)23-13(16(20)22)11-14(21)19-9-7-18(2)8-10-19/h4-6,13H,3,7-11H2,1-2H3
InChIKeyYGCZKIGXVDQYEE-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.07
Rot. Bonds3

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

1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 53148534) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID53148534
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
SMILESCCN1C(=O)C(CC(=O)N2CCN(C)CC2)Sc2ncccc21
InChIInChI=1S/C16H22N4O2S/c1-3-20-12-5-4-6-17-15(12)23-13(16(20)22)11-14(21)19-9-7-18(2)8-10-19/h4-6,13H,3,7-11H2,1-2H3
InChIKeyYGCZKIGXVDQYEE-UHFFFAOYSA-N
XLogP1.07
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one (CID 53148534) is 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one is CCN1C(=O)C(CC(=O)N2CCN(C)CC2)Sc2ncccc21.
What is the InChIKey of 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is YGCZKIGXVDQYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-20-12-5-4-6-17-15(12)23-13(16(20)22)11-14(21)19-9-7-18(2)8-10-19/h4-6,13H,3,7-11H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one?
1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 334.45 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 53148534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).