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

C14H18Cl2N2OS — CID 2861655

IUPAC2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2OS/c1-17(2)6-3-7-18-13(19)9-20-14(18)10-4-5-11(15)12(16)8-10/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyCQQUVPWMVQOMTM-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.52
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one (PubChem CID 2861655) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
PubChem CID2861655
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC Name2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2OS/c1-17(2)6-3-7-18-13(19)9-20-14(18)10-4-5-11(15)12(16)8-10/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyCQQUVPWMVQOMTM-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dichlormezanone
CID 71209
2-(4-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2828158
4-Thiazolidinone, 2-(4-chlorophenyl)-3-cyclohexyl-
CID 3272082
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
2-(3-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2840110
2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2860026
N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25161525
4-[(3,4-Dichlorophenyl)methyl]thiomorpholine-3,5-dione
CID 1478962
2-(1-cyanopyrrolidin-3-ylidene)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 141757236
Rhodanine, 3-(p-chlorobenzyl)-
CID 211731
N-(3,4-Dichloro-benzyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 6493557
2-(4-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2861271

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one (CID 2861655) is 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one is CN(C)CCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
The InChIKey is CQQUVPWMVQOMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-17(2)6-3-7-18-13(19)9-20-14(18)10-4-5-11(15)12(16)8-10/h4-5,8,14H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one has a molecular weight of 333.28 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2861655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).