2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

C17H19N3OS — CID 44562987

IUPAC2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H19N3OS/c1-12-5-4-6-15(18-12)20-16(21)11-22-17(20)13-7-9-14(10-8-13)19(2)3/h4-10,17H,11H2,1-3H3
InChIKeyICPKWHMLZNJYKV-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 44562987) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID44562987
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H19N3OS/c1-12-5-4-6-15(18-12)20-16(21)11-22-17(20)13-7-9-14(10-8-13)19(2)3/h4-10,17H,11H2,1-3H3
InChIKeyICPKWHMLZNJYKV-UHFFFAOYSA-N
XLogP3.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 44562987) is 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is ICPKWHMLZNJYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-5-4-6-15(18-12)20-16(21)11-22-17(20)13-7-9-14(10-8-13)19(2)3/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 313.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44562987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).