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

C24H26N6O4S — CID 59332007

IUPAC2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2
InChIInChI=1S/C24H26N6O4S/c1-14-8-19(29-6-4-25-5-7-29)17(11-26-14)27-22(31)18-13-35-24(28-18)30-12-15-9-20(33-2)21(34-3)10-16(15)23(30)32/h8-11,13,25H,4-7,12H2,1-3H3,(H,27,31)
InChIKeyPMTSHXXWBXWJNX-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.69
Rot. Bonds6

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

2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332007) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332007
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2
InChIInChI=1S/C24H26N6O4S/c1-14-8-19(29-6-4-25-5-7-29)17(11-26-14)27-22(31)18-13-35-24(28-18)30-12-15-9-20(33-2)21(34-3)10-16(15)23(30)32/h8-11,13,25H,4-7,12H2,1-3H3,(H,27,31)
InChIKeyPMTSHXXWBXWJNX-UHFFFAOYSA-N
XLogP2.69
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-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-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332007) is 2-(5,6-dimethoxy-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-(5,6-dimethoxy-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-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nc(C(=O)Nc3cnc(C)cc3N3CCNCC3)cs1)C2.
What is the InChIKey of 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PMTSHXXWBXWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-14-8-19(29-6-4-25-5-7-29)17(11-26-14)27-22(31)18-13-35-24(28-18)30-12-15-9-20(33-2)21(34-3)10-16(15)23(30)32/h8-11,13,25H,4-7,12H2,1-3H3,(H,27,31).
What are the key properties of 2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(5,6-dimethoxy-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 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-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 59332007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).