2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one

C16H17N3OS — CID 44562941

IUPAC2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2c2ccccn2)cc1
InChIInChI=1S/C16H17N3OS/c1-18(2)13-8-6-12(7-9-13)16-19(15(20)11-21-16)14-5-3-4-10-17-14/h3-10,16H,11H2,1-2H3
InChIKeyPSSIXVHSZSMVOK-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.93
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one

2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 44562941) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID44562941
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2c2ccccn2)cc1
InChIInChI=1S/C16H17N3OS/c1-18(2)13-8-6-12(7-9-13)16-19(15(20)11-21-16)14-5-3-4-10-17-14/h3-10,16H,11H2,1-2H3
InChIKeyPSSIXVHSZSMVOK-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.93
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-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one (CID 44562941) is 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one is CN(C)c1ccc(C2SCC(=O)N2c2ccccn2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is PSSIXVHSZSMVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-18(2)13-8-6-12(7-9-13)16-19(15(20)11-21-16)14-5-3-4-10-17-14/h3-10,16H,11H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one?
2-[4-(dimethylamino)phenyl]-3-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 2.93, 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-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 44562941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).