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

C12H13ClN4O2S — CID 19837972

IUPAC6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCNCC1
InChIInChI=1S/C12H13ClN4O2S/c13-8-5-9-11(15-6-8)20-12(19)17(9)7-10(18)16-3-1-14-2-4-16/h5-6,14H,1-4,7H2
InChIKeyGNLRDIZQZQWVNJ-UHFFFAOYSA-N
MW312.78 g/mol
LogP0.54
Rot. Bonds2

About 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 19837972) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID19837972
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCNCC1
InChIInChI=1S/C12H13ClN4O2S/c13-8-5-9-11(15-6-8)20-12(19)17(9)7-10(18)16-3-1-14-2-4-16/h5-6,14H,1-4,7H2
InChIKeyGNLRDIZQZQWVNJ-UHFFFAOYSA-N
XLogP0.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one with MolForge

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Related Compounds

N-(3-Chlorophenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 20889981
4-chloro-5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxamide
CID 44213267
6-chloro-5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxamide
CID 44213268
4-[2-[(3-Chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-2-one
CID 75414098
2-[4-[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 17526866
2-[4-[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 24669470
2-[4-[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 112815731
N-(2-chlorophenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide
CID 20889980
N-(4-chlorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889982
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 20890032
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 122176271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 19837972) is 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncc(Cl)cc21)N1CCNCC1.
What is the InChIKey of 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is GNLRDIZQZQWVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c13-8-5-9-11(15-6-8)20-12(19)17(9)7-10(18)16-3-1-14-2-4-16/h5-6,14H,1-4,7H2.
What are the key properties of 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 312.78 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-oxo-2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 19837972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).