N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C11H14ClFN2OS — CID 119281804

IUPACN-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1c(F)cccc1NC(=O)C1CSCN1.Cl
InChIInChI=1S/C11H13FN2OS.ClH/c1-7-8(12)3-2-4-9(7)14-11(15)10-5-16-6-13-10;/h2-4,10,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyRRUPORIXWOIJGT-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.16
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119281804) has the molecular formula C11H14ClFN2OS and a molecular weight of 276.76 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119281804
Molecular FormulaC11H14ClFN2OS
Molecular Weight276.76 g/mol
Exact Mass276.05
IUPAC NameN-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1c(F)cccc1NC(=O)C1CSCN1.Cl
InChIInChI=1S/C11H13FN2OS.ClH/c1-7-8(12)3-2-4-9(7)14-11(15)10-5-16-6-13-10;/h2-4,10,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyRRUPORIXWOIJGT-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 43708496
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
4-ethyl-N-(3-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 114428836
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119281804) is N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1c(F)cccc1NC(=O)C1CSCN1.Cl.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is RRUPORIXWOIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS.ClH/c1-7-8(12)3-2-4-9(7)14-11(15)10-5-16-6-13-10;/h2-4,10,13H,5-6H2,1H3,(H,14,15);1H.
What are the key properties of N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119281804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).