N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C16H24N2OS — CID 43699491

IUPACN-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2OS/c1-11(18-15(19)14-9-20-10-17-14)12-5-7-13(8-6-12)16(2,3)4/h5-8,11,14,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyMMTVYONAHYSFLZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43699491) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43699491
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2OS/c1-11(18-15(19)14-9-20-10-17-14)12-5-7-13(8-6-12)16(2,3)4/h5-8,11,14,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyMMTVYONAHYSFLZ-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269386
N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 81410670
N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 43709502
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119271876
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119289106

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 43699491) is N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSCN1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MMTVYONAHYSFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(18-15(19)14-9-20-10-17-14)12-5-7-13(8-6-12)16(2,3)4/h5-8,11,14,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43699491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).