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

C12H17ClN2OS — CID 50988129

IUPACN-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CSCN2)cc1C.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-8-3-4-10(5-9(8)2)14-12(15)11-6-16-7-13-11;/h3-5,11,13H,6-7H2,1-2H3,(H,14,15);1H
InChIKeyZCHVDXNOXZEXGP-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.33
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 50988129) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID50988129
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CSCN2)cc1C.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-8-3-4-10(5-9(8)2)14-12(15)11-6-16-7-13-11;/h3-5,11,13H,6-7H2,1-2H3,(H,14,15);1H
InChIKeyZCHVDXNOXZEXGP-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-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-(2-methyl-4-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119832878
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 119332384
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119297598
N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazolidine-4-carboxamide
CID 24706047
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 50988129) is N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CSCN2)cc1C.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is ZCHVDXNOXZEXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS.ClH/c1-8-3-4-10(5-9(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-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3,4-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-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 50988129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).