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

C14H18N4O2S — CID 67951149

IUPAC4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(CC(=O)N3CCNCC3)sc2n1
InChIInChI=1S/C14H18N4O2S/c1-9-7-10(2)16-13-12(9)14(20)18(21-13)8-11(19)17-5-3-15-4-6-17/h7,15H,3-6,8H2,1-2H3
InChIKeyXGUBSDABFIBMJP-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.51
Rot. Bonds2

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

4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 67951149) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID67951149
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(CC(=O)N3CCNCC3)sc2n1
InChIInChI=1S/C14H18N4O2S/c1-9-7-10(2)16-13-12(9)14(20)18(21-13)8-11(19)17-5-3-15-4-6-17/h7,15H,3-6,8H2,1-2H3
InChIKeyXGUBSDABFIBMJP-UHFFFAOYSA-N
XLogP0.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-
CID 173760
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-propylacetamide
CID 6619971
N-cyclopentyl-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4048808
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 5308990
2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5309478
ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
CID 49878590
Isothiazolo(5,4-b)pyridin-3(2H)-one, 2-acetyl-4,6-dimethyl-
CID 2816723
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247465
N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247467
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-(3-fluorophenyl)acetamide
CID 4247468
N-(4-chlorophenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247469
Ethyl 1-[2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetyl]piperidine-3-carboxylate
CID 5308606

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 67951149) is 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)n(CC(=O)N3CCNCC3)sc2n1.
What is the InChIKey of 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is XGUBSDABFIBMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-7-10(2)16-13-12(9)14(20)18(21-13)8-11(19)17-5-3-15-4-6-17/h7,15H,3-6,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 306.39 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-oxo-2-piperazin-1-ylethyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 67951149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).