N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C18H20ClFN2O2S — CID 119292625

IUPACN-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CSCN1)c1ccc(Oc2ccccc2)c(F)c1.Cl
InChIInChI=1S/C18H19FN2O2S.ClH/c1-12(21-18(22)16-10-24-11-20-16)13-7-8-17(15(19)9-13)23-14-5-3-2-4-6-14;/h2-9,12,16,20H,10-11H2,1H3,(H,21,22);1H
InChIKeyGVGBPEKHGRBTTM-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119292625) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119292625
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC NameN-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CSCN1)c1ccc(Oc2ccccc2)c(F)c1.Cl
InChIInChI=1S/C18H19FN2O2S.ClH/c1-12(21-18(22)16-10-24-11-20-16)13-7-8-17(15(19)9-13)23-14-5-3-2-4-6-14;/h2-9,12,16,20H,10-11H2,1H3,(H,21,22);1H
InChIKeyGVGBPEKHGRBTTM-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269386
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 43709502
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119272421
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119289106

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119292625) is N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(NC(=O)C1CSCN1)c1ccc(Oc2ccccc2)c(F)c1.Cl.
What is the InChIKey of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is GVGBPEKHGRBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S.ClH/c1-12(21-18(22)16-10-24-11-20-16)13-7-8-17(15(19)9-13)23-14-5-3-2-4-6-14;/h2-9,12,16,20H,10-11H2,1H3,(H,21,22);1H.
What are the key properties of N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119292625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).