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

C12H16ClN3O2S — CID 119318629

IUPACN-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2CSCN2)ccc1C(N)=O.Cl
InChIInChI=1S/C12H15N3O2S.ClH/c1-7-4-8(2-3-9(7)11(13)16)15-12(17)10-5-18-6-14-10;/h2-4,10,14H,5-6H2,1H3,(H2,13,16)(H,15,17);1H
InChIKeyIJXIGCGYXFDITD-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.12
Rot. Bonds3

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

N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119318629) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119318629
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2CSCN2)ccc1C(N)=O.Cl
InChIInChI=1S/C12H15N3O2S.ClH/c1-7-4-8(2-3-9(7)11(13)16)15-12(17)10-5-18-6-14-10;/h2-4,10,14H,5-6H2,1H3,(H2,13,16)(H,15,17);1H
InChIKeyIJXIGCGYXFDITD-UHFFFAOYSA-N
XLogP1.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
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-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119297598
N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119298473
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-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 119332384

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119318629) is N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1cc(NC(=O)C2CSCN2)ccc1C(N)=O.Cl.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IJXIGCGYXFDITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S.ClH/c1-7-4-8(2-3-9(7)11(13)16)15-12(17)10-5-18-6-14-10;/h2-4,10,14H,5-6H2,1H3,(H2,13,16)(H,15,17);1H.
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119318629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).