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

C11H13Cl3N2OS — CID 119263497

IUPACN-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1Cl)C1CSCN1
InChIInChI=1S/C11H12Cl2N2OS.ClH/c12-8-2-1-7(9(13)3-8)4-14-11(16)10-5-17-6-15-10;/h1-3,10,15H,4-6H2,(H,14,16);1H
InChIKeyWVOQXERDWPPGDE-UHFFFAOYSA-N
MW327.66 g/mol
LogP2.69
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119263497) has the molecular formula C11H13Cl3N2OS and a molecular weight of 327.66 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119263497
Molecular FormulaC11H13Cl3N2OS
Molecular Weight327.66 g/mol
Exact Mass325.98
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1Cl)C1CSCN1
InChIInChI=1S/C11H12Cl2N2OS.ClH/c12-8-2-1-7(9(13)3-8)4-14-11(16)10-5-17-6-15-10;/h1-3,10,15H,4-6H2,(H,14,16);1H
InChIKeyWVOQXERDWPPGDE-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.66
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794483
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 114956035

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119263497) is N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccc(Cl)cc1Cl)C1CSCN1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is WVOQXERDWPPGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS.ClH/c12-8-2-1-7(9(13)3-8)4-14-11(16)10-5-17-6-15-10;/h1-3,10,15H,4-6H2,(H,14,16);1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 327.66 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119263497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).