N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C13H18ClFN2O2S — CID 119335633

IUPACN-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CSCN1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C13H17FN2O2S.ClH/c1-9(18-11-4-2-3-10(14)5-11)6-15-13(17)12-7-19-8-16-12;/h2-5,9,12,16H,6-8H2,1H3,(H,15,17);1H
InChIKeyQGAWHZIFXLYRTD-UHFFFAOYSA-N
MW320.82 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119335633) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119335633
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC NameN-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CSCN1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C13H17FN2O2S.ClH/c1-9(18-11-4-2-3-10(14)5-11)6-15-13(17)12-7-19-8-16-12;/h2-5,9,12,16H,6-8H2,1H3,(H,15,17);1H
InChIKeyQGAWHZIFXLYRTD-UHFFFAOYSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335649
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
CID 120795026
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119335633) is N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(CNC(=O)C1CSCN1)Oc1cccc(F)c1.Cl.
What is the InChIKey of N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is QGAWHZIFXLYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S.ClH/c1-9(18-11-4-2-3-10(14)5-11)6-15-13(17)12-7-19-8-16-12;/h2-5,9,12,16H,6-8H2,1H3,(H,15,17);1H.
What are the key properties of N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119335633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).