N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H21ClN2OS2 — CID 119042537

IUPACN-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H20N2OS2.ClH/c1-14(2,3)19-11-6-4-10(5-7-11)16-13(17)12-8-18-9-15-12;/h4-7,12,15H,8-9H2,1-3H3,(H,16,17);1H
InChIKeyRUIBOHKQXFLWCM-UHFFFAOYSA-N
MW332.92 g/mol
LogP3.60
Rot. Bonds3

About N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119042537) has the molecular formula C14H21ClN2OS2 and a molecular weight of 332.92 g/mol. Its IUPAC name is N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119042537
Molecular FormulaC14H21ClN2OS2
Molecular Weight332.92 g/mol
Exact Mass332.08
IUPAC NameN-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H20N2OS2.ClH/c1-14(2,3)19-11-6-4-10(5-7-11)16-13(17)12-8-18-9-15-12;/h4-7,12,15H,8-9H2,1-3H3,(H,16,17);1H
InChIKeyRUIBOHKQXFLWCM-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride 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-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119298473
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
(4S)-N-thiophen-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326722
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43702511
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119042537) is N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)(C)Sc1ccc(NC(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is RUIBOHKQXFLWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2.ClH/c1-14(2,3)19-11-6-4-10(5-7-11)16-13(17)12-8-18-9-15-12;/h4-7,12,15H,8-9H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119042537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).