1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

C12H14N4O2S — CID 15592464

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncccc21)N1CCNCC1
InChIInChI=1S/C12H14N4O2S/c17-10(15-6-4-13-5-7-15)8-16-9-2-1-3-14-11(9)19-12(16)18/h1-3,13H,4-8H2
InChIKeyYHDANCKTWHVYDR-UHFFFAOYSA-N
MW278.34 g/mol
LogP-0.11
Rot. Bonds2

About 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 15592464) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID15592464
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncccc21)N1CCNCC1
InChIInChI=1S/C12H14N4O2S/c17-10(15-6-4-13-5-7-15)8-16-9-2-1-3-14-11(9)19-12(16)18/h1-3,13H,4-8H2
InChIKeyYHDANCKTWHVYDR-UHFFFAOYSA-N
XLogP-0.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-pyrido(2,3-b)(1,4)thiazin-2(3H)-one
CID 29110
3-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylpropanamide
CID 3242337
N-(3-Methoxypropyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 5307337
N-(2-methoxyethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5307559
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5308434
4-(2-Pyridin-2-ylsulfanylacetyl)-1,3-dihydroquinoxalin-2-one
CID 8813148
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889991
N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5307171
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 5307934
1-(Pyridin-3-yl)piperazin-2-one
CID 21865009
1-methyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 53014183
2-{1-Methyl-2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-3-YL}-N-(propan-2-YL)acetamide
CID 53148496

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 15592464) is 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncccc21)N1CCNCC1.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is YHDANCKTWHVYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-10(15-6-4-13-5-7-15)8-16-9-2-1-3-14-11(9)19-12(16)18/h1-3,13H,4-8H2.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 278.34 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 15592464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).