(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide

C17H25N3O2S — CID 124628276

IUPAC(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@H]2CSCN2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-22-14-6-4-13(5-7-14)16(20-8-2-3-9-20)10-18-17(21)15-11-23-12-19-15/h4-7,15-16,19H,2-3,8-12H2,1H3,(H,18,21)/t15-,16-/m1/s1
InChIKeyFJJQENXJXFRAGT-HZPDHXFCSA-N
MW335.47 g/mol
LogP1.61
Rot. Bonds6

About (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124628276) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124628276
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@H]2CSCN2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-22-14-6-4-13(5-7-14)16(20-8-2-3-9-20)10-18-17(21)15-11-23-12-19-15/h4-7,15-16,19H,2-3,8-12H2,1H3,(H,18,21)/t15-,16-/m1/s1
InChIKeyFJJQENXJXFRAGT-HZPDHXFCSA-N
XLogP1.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119829592
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119866526
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
CID 119829732
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
cis-(1S,3R)-3-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122099543
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 55364403
(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 124688095
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide (CID 124628276) is (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide is COc1ccc([C@@H](CNC(=O)[C@H]2CSCN2)N2CCCC2)cc1.
What is the InChIKey of (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FJJQENXJXFRAGT-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-22-14-6-4-13(5-7-14)16(20-8-2-3-9-20)10-18-17(21)15-11-23-12-19-15/h4-7,15-16,19H,2-3,8-12H2,1H3,(H,18,21)/t15-,16-/m1/s1.
What are the key properties of (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124628276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).