N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide

C17H23ClN2OS — CID 110666300

IUPACN-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)C1CCCC1)C1CSCN1
InChIInChI=1S/C17H23ClN2OS/c18-14-7-5-13(6-8-14)15(12-3-1-2-4-12)9-19-17(21)16-10-22-11-20-16/h5-8,12,15-16,20H,1-4,9-11H2,(H,19,21)
InChIKeyCWEPXOZMXCJJJG-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110666300) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110666300
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC NameN-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)C1CCCC1)C1CSCN1
InChIInChI=1S/C17H23ClN2OS/c18-14-7-5-13(6-8-14)15(12-3-1-2-4-12)9-19-17(21)16-10-22-11-20-16/h5-8,12,15-16,20H,1-4,9-11H2,(H,19,21)
InChIKeyCWEPXOZMXCJJJG-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794483
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-(2-cyclopropylpropyl)-1,3-thiazolidine-4-carboxamide
CID 115733848
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
CID 110611742
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 110887592
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119866526
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide (CID 110666300) is N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC(c1ccc(Cl)cc1)C1CCCC1)C1CSCN1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CWEPXOZMXCJJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2OS/c18-14-7-5-13(6-8-14)15(12-3-1-2-4-12)9-19-17(21)16-10-22-11-20-16/h5-8,12,15-16,20H,1-4,9-11H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.90 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110666300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).