N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C13H21Cl2N3OS — CID 119853195

IUPACN-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(C)Cc1cccc(NC(=O)C2CSCN2)c1.Cl.Cl
InChIInChI=1S/C13H19N3OS.2ClH/c1-16(2)7-10-4-3-5-11(6-10)15-13(17)12-8-18-9-14-12;;/h3-6,12,14H,7-9H2,1-2H3,(H,15,17);2*1H
InChIKeyIUBHZSYLYXHYLY-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.19
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119853195) has the molecular formula C13H21Cl2N3OS and a molecular weight of 338.30 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119853195
Molecular FormulaC13H21Cl2N3OS
Molecular Weight338.30 g/mol
Exact Mass337.08
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(C)Cc1cccc(NC(=O)C2CSCN2)c1.Cl.Cl
InChIInChI=1S/C13H19N3OS.2ClH/c1-16(2)7-10-4-3-5-11(6-10)15-13(17)12-8-18-9-14-12;;/h3-6,12,14H,7-9H2,1-2H3,(H,15,17);2*1H
InChIKeyIUBHZSYLYXHYLY-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294213
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213602
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43713195
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119853195) is N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CN(C)Cc1cccc(NC(=O)C2CSCN2)c1.Cl.Cl.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is IUBHZSYLYXHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS.2ClH/c1-16(2)7-10-4-3-5-11(6-10)15-13(17)12-8-18-9-14-12;;/h3-6,12,14H,7-9H2,1-2H3,(H,15,17);2*1H.
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 338.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119853195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).