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

C12H17N3OS — CID 43617089

IUPACN-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C12H17N3OS/c1-15(2)10-5-3-9(4-6-10)14-12(16)11-7-17-8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyGITMVDDXFDUWCG-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.35
Rot. Bonds3

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

N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43617089) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43617089
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CSCN2)cc1
InChIInChI=1S/C12H17N3OS/c1-15(2)10-5-3-9(4-6-10)14-12(16)11-7-17-8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyGITMVDDXFDUWCG-UHFFFAOYSA-N
XLogP1.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43702511
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697835
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 24698635
(4S)-N-thiophen-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326722

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43617089) is N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide is CN(C)c1ccc(NC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GITMVDDXFDUWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-15(2)10-5-3-9(4-6-10)14-12(16)11-7-17-8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43617089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).