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

C14H19Cl3N2OS — CID 2861654

IUPAC2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H18Cl2N2OS.ClH/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;1H
InChIKeySDZQRQSWZWXWQH-UHFFFAOYSA-N
MW369.75 g/mol
LogP3.94
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2861654) has the molecular formula C14H19Cl3N2OS and a molecular weight of 369.75 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2861654
Molecular FormulaC14H19Cl3N2OS
Molecular Weight369.75 g/mol
Exact Mass368.03
IUPAC Name2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H18Cl2N2OS.ClH/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;1H
InChIKeySDZQRQSWZWXWQH-UHFFFAOYSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride (CID 2861654) is 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride is CN(C)CCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is SDZQRQSWZWXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS.ClH/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;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 369.75 g/mol, XLogP of 3.94, 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;hydrochloride is sourced from PubChem (CID 2861654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).