2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C21H35N3OS — CID 19831115

IUPAC2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCC1SC(CCN(C)C)(c2cccnc2)NC1=O
InChIInChI=1S/C21H35N3OS/c1-4-5-6-7-8-9-10-13-19-20(25)23-21(26-19,14-16-24(2)3)18-12-11-15-22-17-18/h11-12,15,17,19H,4-10,13-14,16H2,1-3H3,(H,23,25)
InChIKeyBIIOOOVJDFZBAD-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.56
Rot. Bonds12

About 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 19831115) has the molecular formula C21H35N3OS and a molecular weight of 377.60 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID19831115
Molecular FormulaC21H35N3OS
Molecular Weight377.60 g/mol
Exact Mass377.25
IUPAC Name2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCC1SC(CCN(C)C)(c2cccnc2)NC1=O
InChIInChI=1S/C21H35N3OS/c1-4-5-6-7-8-9-10-13-19-20(25)23-21(26-19,14-16-24(2)3)18-12-11-15-22-17-18/h11-12,15,17,19H,4-10,13-14,16H2,1-3H3,(H,23,25)
InChIKeyBIIOOOVJDFZBAD-UHFFFAOYSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 19831115) is 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is CCCCCCCCCC1SC(CCN(C)C)(c2cccnc2)NC1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is BIIOOOVJDFZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3OS/c1-4-5-6-7-8-9-10-13-19-20(25)23-21(26-19,14-16-24(2)3)18-12-11-15-22-17-18/h11-12,15,17,19H,4-10,13-14,16H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 377.60 g/mol, XLogP of 4.56, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-nonyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 19831115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).