ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride

C14H19ClN2O3S — CID 119302039

IUPACethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(CNC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H18N2O3S.ClH/c1-2-19-14(18)11-5-3-10(4-6-11)7-15-13(17)12-8-20-9-16-12;/h3-6,12,16H,2,7-9H2,1H3,(H,15,17);1H
InChIKeyLOVAHIGWMBGPSH-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.56
Rot. Bonds5

About ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride

ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride (PubChem CID 119302039) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
PubChem CID119302039
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Nameethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(CNC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H18N2O3S.ClH/c1-2-19-14(18)11-5-3-10(4-6-11)7-15-13(17)12-8-20-9-16-12;/h3-6,12,16H,2,7-9H2,1H3,(H,15,17);1H
InChIKeyLOVAHIGWMBGPSH-UHFFFAOYSA-N
XLogP1.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119287347
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119845510
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride (CID 119302039) is ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride is CCOC(=O)c1ccc(CNC(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride?
The InChIKey is LOVAHIGWMBGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S.ClH/c1-2-19-14(18)11-5-3-10(4-6-11)7-15-13(17)12-8-20-9-16-12;/h3-6,12,16H,2,7-9H2,1H3,(H,15,17);1H.
What are the key properties of ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride?
ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride has a molecular weight of 330.84 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride is sourced from PubChem (CID 119302039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).