2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C23H24N6O2S — CID 24954450

IUPAC2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)C(=O)N(c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc21
InChIInChI=1S/C23H24N6O2S/c1-23(2)15-5-3-4-6-18(15)29(21(23)31)22-27-17(14-32-22)20(30)26-16-13-25-8-7-19(16)28-11-9-24-10-12-28/h3-8,13-14,24H,9-12H2,1-2H3,(H,26,30)
InChIKeyRDJSTNFAMNWGPG-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.16
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24954450) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24954450
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)C(=O)N(c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc21
InChIInChI=1S/C23H24N6O2S/c1-23(2)15-5-3-4-6-18(15)29(21(23)31)22-27-17(14-32-22)20(30)26-16-13-25-8-7-19(16)28-11-9-24-10-12-28/h3-8,13-14,24H,9-12H2,1-2H3,(H,26,30)
InChIKeyRDJSTNFAMNWGPG-UHFFFAOYSA-N
XLogP3.16
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24954450) is 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CC1(C)C(=O)N(c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc21.
What is the InChIKey of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RDJSTNFAMNWGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-23(2)15-5-3-4-6-18(15)29(21(23)31)22-27-17(14-32-22)20(30)26-16-13-25-8-7-19(16)28-11-9-24-10-12-28/h3-8,13-14,24H,9-12H2,1-2H3,(H,26,30).
What are the key properties of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24954450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).