3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one

C20H17N5O2S2 — CID 56551516

IUPAC3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H17N5O2S2/c26-17-13(5-6-14(22-17)16-4-2-12-28-16)19(27)24-8-10-25(11-9-24)20-23-15-3-1-7-21-18(15)29-20/h1-7,12H,8-11H2,(H,22,26)
InChIKeyRFEOFUPRTXUMMV-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.07
Rot. Bonds3

About 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one

3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one (PubChem CID 56551516) has the molecular formula C20H17N5O2S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
PubChem CID56551516
Molecular FormulaC20H17N5O2S2
Molecular Weight423.52 g/mol
Exact Mass423.08
IUPAC Name3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H17N5O2S2/c26-17-13(5-6-14(22-17)16-4-2-12-28-16)19(27)24-8-10-25(11-9-24)20-23-15-3-1-7-21-18(15)29-20/h1-7,12H,8-11H2,(H,22,26)
InChIKeyRFEOFUPRTXUMMV-UHFFFAOYSA-N
XLogP3.07
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 166200032
3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 95607220
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551295
4-fluoro-N-methyl-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 56535583
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
(4-pyridin-3-yloxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535663
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775
5-methyl-1-phenyl-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one
CID 56535793
[3-(methylsulfonylmethyl)phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535555
1-[2-methyl-4-propyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 56551616
N-methyl-N-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 56551599
N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide
CID 56535717

Frequently Asked Questions

What is the IUPAC name of 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one (CID 56551516) is 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one is O=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The InChIKey is RFEOFUPRTXUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S2/c26-17-13(5-6-14(22-17)16-4-2-12-28-16)19(27)24-8-10-25(11-9-24)20-23-15-3-1-7-21-18(15)29-20/h1-7,12H,8-11H2,(H,22,26).
What are the key properties of 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one has a molecular weight of 423.52 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 56551516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).