2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C23H24N6O4S — CID 24953045

IUPAC2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCO)cc3C2=O)n1
InChIInChI=1S/C23H24N6O4S/c30-9-10-33-16-2-1-15-13-29(22(32)17(15)11-16)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28/h1-4,11-12,14,24,30H,5-10,13H2,(H,26,31)
InChIKeyOLNBFOVNJRBHBP-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.73
Rot. Bonds7

About 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24953045) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24953045
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC Name2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCO)cc3C2=O)n1
InChIInChI=1S/C23H24N6O4S/c30-9-10-33-16-2-1-15-13-29(22(32)17(15)11-16)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28/h1-4,11-12,14,24,30H,5-10,13H2,(H,26,31)
InChIKeyOLNBFOVNJRBHBP-UHFFFAOYSA-N
XLogP1.73
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24953045) is 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccc(OCCO)cc3C2=O)n1.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OLNBFOVNJRBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c30-9-10-33-16-2-1-15-13-29(22(32)17(15)11-16)23-27-19(14-34-23)21(31)26-18-12-25-4-3-20(18)28-7-5-24-6-8-28/h1-4,11-12,14,24,30H,5-10,13H2,(H,26,31).
What are the key properties of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24953045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).