N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C17H26N2O2S — CID 110795242

IUPACN-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSCN2)cc1C(C)(C)C
InChIInChI=1S/C17H26N2O2S/c1-17(2,3)13-9-12(5-6-15(13)21-4)7-8-18-16(20)14-10-22-11-19-14/h5-6,9,14,19H,7-8,10-11H2,1-4H3,(H,18,20)
InChIKeyAVLUIBRCTNJMKV-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110795242) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110795242
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSCN2)cc1C(C)(C)C
InChIInChI=1S/C17H26N2O2S/c1-17(2,3)13-9-12(5-6-15(13)21-4)7-8-18-16(20)14-10-22-11-19-14/h5-6,9,14,19H,7-8,10-11H2,1-4H3,(H,18,20)
InChIKeyAVLUIBRCTNJMKV-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-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-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795275
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792568
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
2-(3-tert-butyl-4-methoxyphenyl)ethylcarbamothioic S-acid
CID 115170243
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795893
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110795242) is N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1ccc(CCNC(=O)C2CSCN2)cc1C(C)(C)C.
What is the InChIKey of N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AVLUIBRCTNJMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-17(2,3)13-9-12(5-6-15(13)21-4)7-8-18-16(20)14-10-22-11-19-14/h5-6,9,14,19H,7-8,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110795242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).