N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C12H15Cl2N3O2S — CID 119297598

IUPACN-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(NC(=O)C2CSCN2)ccc1Cl.Cl
InChIInChI=1S/C12H14ClN3O2S.ClH/c1-14-11(17)8-4-7(2-3-9(8)13)16-12(18)10-5-19-6-15-10;/h2-4,10,15H,5-6H2,1H3,(H,14,17)(H,16,18);1H
InChIKeyDRZOJDSYJVXKRR-UHFFFAOYSA-N
MW336.24 g/mol
LogP1.72
Rot. Bonds3

About N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119297598) has the molecular formula C12H15Cl2N3O2S and a molecular weight of 336.24 g/mol. Its IUPAC name is N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119297598
Molecular FormulaC12H15Cl2N3O2S
Molecular Weight336.24 g/mol
Exact Mass335.03
IUPAC NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(NC(=O)C2CSCN2)ccc1Cl.Cl
InChIInChI=1S/C12H14ClN3O2S.ClH/c1-14-11(17)8-4-7(2-3-9(8)13)16-12(18)10-5-19-6-15-10;/h2-4,10,15H,5-6H2,1H3,(H,14,17)(H,16,18);1H
InChIKeyDRZOJDSYJVXKRR-UHFFFAOYSA-N
XLogP1.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43706823
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(2-methyl-4-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119832878
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
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-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119297598) is N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CNC(=O)c1cc(NC(=O)C2CSCN2)ccc1Cl.Cl.
What is the InChIKey of N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is DRZOJDSYJVXKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S.ClH/c1-14-11(17)8-4-7(2-3-9(8)13)16-12(18)10-5-19-6-15-10;/h2-4,10,15H,5-6H2,1H3,(H,14,17)(H,16,18);1H.
What are the key properties of N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 336.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119297598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).