N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H22ClN3O2S — CID 119267842

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1CSCN1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-10-5-4-6-11(2)14(10)17-13(19)7-18(3)15(20)12-8-21-9-16-12;/h4-6,12,16H,7-9H2,1-3H3,(H,17,19);1H
InChIKeyCTMYIZZFTWQZJC-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119267842) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119267842
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1CSCN1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-10-5-4-6-11(2)14(10)17-13(19)7-18(3)15(20)12-8-21-9-16-12;/h4-6,12,16H,7-9H2,1-3H3,(H,17,19);1H
InChIKeyCTMYIZZFTWQZJC-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294184
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672752
N-(2-anilino-2-oxoethyl)-N-methylthiomorpholine-3-carboxamide
CID 82908719
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119683098
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119335151
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119274181
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8501078
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119267842) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CSCN1.Cl.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is CTMYIZZFTWQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-10-5-4-6-11(2)14(10)17-13(19)7-18(3)15(20)12-8-21-9-16-12;/h4-6,12,16H,7-9H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119267842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).