2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide

C17H17N3O2S — CID 90681369

IUPAC2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(C)c1C1SCC(=O)N1C(=O)Nc1ccncc1
InChIInChI=1S/C17H17N3O2S/c1-11-4-3-5-12(2)15(11)16-20(14(21)10-23-16)17(22)19-13-6-8-18-9-7-13/h3-9,16H,10H2,1-2H3,(H,18,19,22)
InChIKeyYISCVUWRGMGTSH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.50
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide

2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 90681369) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
PubChem CID90681369
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(C)c1C1SCC(=O)N1C(=O)Nc1ccncc1
InChIInChI=1S/C17H17N3O2S/c1-11-4-3-5-12(2)15(11)16-20(14(21)10-23-16)17(22)19-13-6-8-18-9-7-13/h3-9,16H,10H2,1-2H3,(H,18,19,22)
InChIKeyYISCVUWRGMGTSH-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide (CID 90681369) is 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide is Cc1cccc(C)c1C1SCC(=O)N1C(=O)Nc1ccncc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is YISCVUWRGMGTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-4-3-5-12(2)15(11)16-20(14(21)10-23-16)17(22)19-13-6-8-18-9-7-13/h3-9,16H,10H2,1-2H3,(H,18,19,22).
What are the key properties of 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide?
2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-oxo-N-pyridin-4-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 90681369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).