2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

C17H18N2OS — CID 513671

IUPAC2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(C)cccc2C)c1
InChIInChI=1S/C17H18N2OS/c1-11-7-8-18-14(9-11)19-15(20)10-21-17(19)16-12(2)5-4-6-13(16)3/h4-9,17H,10H2,1-3H3
InChIKeyNQOPVRDVPPOPJO-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.79
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 513671) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID513671
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(C)cccc2C)c1
InChIInChI=1S/C17H18N2OS/c1-11-7-8-18-14(9-11)19-15(20)10-21-17(19)16-12(2)5-4-6-13(16)3/h4-9,17H,10H2,1-3H3
InChIKeyNQOPVRDVPPOPJO-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 513671) is 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2c2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is NQOPVRDVPPOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-7-8-18-14(9-11)19-15(20)10-21-17(19)16-12(2)5-4-6-13(16)3/h4-9,17H,10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 513671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).