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

C13H19ClN2O3S — CID 119281335

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2CSCN2)c1OC.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-17-11-5-3-4-9(12(11)18-2)6-14-13(16)10-7-19-8-15-10;/h3-5,10,15H,6-8H2,1-2H3,(H,14,16);1H
InChIKeyKVLRIVODZAMQFL-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.40
Rot. Bonds5

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

N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119281335) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119281335
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2CSCN2)c1OC.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-17-11-5-3-4-9(12(11)18-2)6-14-13(16)10-7-19-8-15-10;/h3-5,10,15H,6-8H2,1-2H3,(H,14,16);1H
InChIKeyKVLRIVODZAMQFL-UHFFFAOYSA-N
XLogP1.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
(4R)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124595922
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119324271
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119281335) is N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is COc1cccc(CNC(=O)C2CSCN2)c1OC.Cl.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is KVLRIVODZAMQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S.ClH/c1-17-11-5-3-4-9(12(11)18-2)6-14-13(16)10-7-19-8-15-10;/h3-5,10,15H,6-8H2,1-2H3,(H,14,16);1H.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119281335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).