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

C14H20Cl2N2OS — CID 2860025

IUPAC2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/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;1H
InChIKeyNTMDCIITEAOVHI-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.29
Rot. Bonds5

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

2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2860025) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2860025
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC Name2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/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;1H
InChIKeyNTMDCIITEAOVHI-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.29
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;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride (CID 2860025) is 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride is CN(C)CCCN1C(=O)CSC1c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is NTMDCIITEAOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS.ClH/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;1H.
What are the key properties of 2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride?
2-(3-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 335.30 g/mol, XLogP of 3.29, 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;hydrochloride is sourced from PubChem (CID 2860025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).