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

C12H17ClN2OS — CID 119261895

IUPACN-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CSCN2)c1C.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-8-4-3-5-10(9(8)2)14-12(15)11-6-16-7-13-11;/h3-5,11,13H,6-7H2,1-2H3,(H,14,15);1H
InChIKeyRWKHWNGJMFJXPW-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.33
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119261895) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119261895
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CSCN2)c1C.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-8-4-3-5-10(9(8)2)14-12(15)11-6-16-7-13-11;/h3-5,11,13H,6-7H2,1-2H3,(H,14,15);1H
InChIKeyRWKHWNGJMFJXPW-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 43708496
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119261895) is N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1cccc(NC(=O)C2CSCN2)c1C.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is RWKHWNGJMFJXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS.ClH/c1-8-4-3-5-10(9(8)2)14-12(15)11-6-16-7-13-11;/h3-5,11,13H,6-7H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119261895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).