N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C10H10ClF3N2OS — CID 119281208

IUPACN-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)cc1F)C1CSCN1
InChIInChI=1S/C10H9F3N2OS.ClH/c11-5-1-7(13)8(2-6(5)12)15-10(16)9-3-17-4-14-9;/h1-2,9,14H,3-4H2,(H,15,16);1H
InChIKeyAWVFLEXIPNWVSQ-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.13
Rot. Bonds2

About N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119281208) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119281208
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC NameN-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)cc1F)C1CSCN1
InChIInChI=1S/C10H9F3N2OS.ClH/c11-5-1-7(13)8(2-6(5)12)15-10(16)9-3-17-4-14-9;/h1-2,9,14H,3-4H2,(H,15,16);1H
InChIKeyAWVFLEXIPNWVSQ-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
methyl 2,4-difluoro-5-(1,3-thiazolidine-4-carbonylamino)benzoate
CID 43712858
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-thiazolidine-4-carboxamide
CID 43709593
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119281208) is N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)c(F)cc1F)C1CSCN1.
What is the InChIKey of N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is AWVFLEXIPNWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS.ClH/c11-5-1-7(13)8(2-6(5)12)15-10(16)9-3-17-4-14-9;/h1-2,9,14H,3-4H2,(H,15,16);1H.
What are the key properties of N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 298.72 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119281208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).