N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C14H23Cl2N3OS — CID 119828799

IUPACN-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1CSCN1)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-17(2)13(11-6-4-3-5-7-11)8-15-14(18)12-9-19-10-16-12;;/h3-7,12-13,16H,8-10H2,1-2H3,(H,15,18);2*1H
InChIKeyJGYZZANXJSJSHS-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119828799) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119828799
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1CSCN1)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-17(2)13(11-6-4-3-5-7-11)8-15-14(18)12-9-19-10-16-12;;/h3-7,12-13,16H,8-10H2,1-2H3,(H,15,18);2*1H
InChIKeyJGYZZANXJSJSHS-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
CID 114423675
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
CID 119902119
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583
(1R,2S,4S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98302763
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119902120
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119828799) is N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CN(C)C(CNC(=O)C1CSCN1)c1ccccc1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is JGYZZANXJSJSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c1-17(2)13(11-6-4-3-5-7-11)8-15-14(18)12-9-19-10-16-12;;/h3-7,12-13,16H,8-10H2,1-2H3,(H,15,18);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119828799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).