2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one

C14H19ClN2OS — CID 2860026

IUPAC2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2OS/c1-16(2)7-4-8-17-13(18)10-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,14H,4,7-8,10H2,1-2H3
InChIKeyJDMFQXLAGLWHOH-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.87
Rot. Bonds5

About 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one

2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one (PubChem CID 2860026) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
PubChem CID2860026
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2OS/c1-16(2)7-4-8-17-13(18)10-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,14H,4,7-8,10H2,1-2H3
InChIKeyJDMFQXLAGLWHOH-UHFFFAOYSA-N
XLogP2.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one (CID 2860026) is 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one is CN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The InChIKey is JDMFQXLAGLWHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-16(2)7-4-8-17-13(18)10-19-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,14H,4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one has a molecular weight of 298.84 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2860026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).