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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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).