2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C24H26N6O4S — CID 71053446

IUPAC2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(N2CCNCC2)c(NC(=O)c2csc(N3Cc4ccc(OCCO)cc4C3=O)n2)cn1
InChIInChI=1S/C24H26N6O4S/c1-15-10-21(29-6-4-25-5-7-29)19(12-26-15)27-22(32)20-14-35-24(28-20)30-13-16-2-3-17(34-9-8-31)11-18(16)23(30)33/h2-3,10-12,14,25,31H,4-9,13H2,1H3,(H,27,32)
InChIKeyAJPMIKHSWMKUHH-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.04
Rot. Bonds7

About 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71053446) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-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-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71053446
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(N2CCNCC2)c(NC(=O)c2csc(N3Cc4ccc(OCCO)cc4C3=O)n2)cn1
InChIInChI=1S/C24H26N6O4S/c1-15-10-21(29-6-4-25-5-7-29)19(12-26-15)27-22(32)20-14-35-24(28-20)30-13-16-2-3-17(34-9-8-31)11-18(16)23(30)33/h2-3,10-12,14,25,31H,4-9,13H2,1H3,(H,27,32)
InChIKeyAJPMIKHSWMKUHH-UHFFFAOYSA-N
XLogP2.04
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.04
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-(6-methyl-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-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71053446) is 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-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-(6-methyl-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-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(N2CCNCC2)c(NC(=O)c2csc(N3Cc4ccc(OCCO)cc4C3=O)n2)cn1.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AJPMIKHSWMKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-15-10-21(29-6-4-25-5-7-29)19(12-26-15)27-22(32)20-14-35-24(28-20)30-13-16-2-3-17(34-9-8-31)11-18(16)23(30)33/h2-3,10-12,14,25,31H,4-9,13H2,1H3,(H,27,32).
What are the key properties of 2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[5-(2-hydroxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.04, 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-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).