N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide

C16H24N2OS — CID 119337615

IUPACN-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CSCN1)c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-3-16(4-2,13-8-6-5-7-9-13)11-17-15(19)14-10-20-12-18-14/h5-9,14,18H,3-4,10-12H2,1-2H3,(H,17,19)
InChIKeyDWUVXWZIJQGLMS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.52
Rot. Bonds6

About N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide

N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119337615) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119337615
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(CC)(CNC(=O)C1CSCN1)c1ccccc1
InChIInChI=1S/C16H24N2OS/c1-3-16(4-2,13-8-6-5-7-9-13)11-17-15(19)14-10-20-12-18-14/h5-9,14,18H,3-4,10-12H2,1-2H3,(H,17,19)
InChIKeyDWUVXWZIJQGLMS-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride
CID 119808337
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
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
(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
CID 119327774
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830630
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide (CID 119337615) is N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide is CCC(CC)(CNC(=O)C1CSCN1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DWUVXWZIJQGLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-16(4-2,13-8-6-5-7-9-13)11-17-15(19)14-10-20-12-18-14/h5-9,14,18H,3-4,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide?
N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119337615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).