N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide

C15H22N2OS — CID 43707143

IUPACN-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CSCN1)c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-11(2)8-13(12-6-4-3-5-7-12)17-15(18)14-9-19-10-16-14/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,17,18)
InChIKeyDQTMSOUHMRMIIT-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.55
Rot. Bonds5

About N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide

N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43707143) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43707143
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CSCN1)c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-11(2)8-13(12-6-4-3-5-7-12)17-15(18)14-9-19-10-16-14/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,17,18)
InChIKeyDQTMSOUHMRMIIT-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-1-phenylbutyl)-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-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61246752
N-(3-methyl-1-phenylbutyl)-5-oxopiperazine-2-carboxamide
CID 107434402
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269386
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 81410670
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide (CID 43707143) is N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC(NC(=O)C1CSCN1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DQTMSOUHMRMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)8-13(12-6-4-3-5-7-12)17-15(18)14-9-19-10-16-14/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43707143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).