(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

C17H24N2O3S — CID 7412355

IUPAC(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)C(C)C
InChIInChI=1S/C17H24N2O3S/c1-12(2)16(21)19-14(15(20)18-9-10-22-3)11-23-17(19)13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3,(H,18,20)/t14-,17-/m1/s1
InChIKeyZCTWTMZCIQMMCS-RHSMWYFYSA-N
MW336.46 g/mol
LogP2.05
Rot. Bonds6

About (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7412355) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID7412355
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)C(C)C
InChIInChI=1S/C17H24N2O3S/c1-12(2)16(21)19-14(15(20)18-9-10-22-3)11-23-17(19)13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3,(H,18,20)/t14-,17-/m1/s1
InChIKeyZCTWTMZCIQMMCS-RHSMWYFYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 126458629
2-methylpropyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809698
butyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415565
(2S,4S)-3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 34421867
(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7231990
butyl (2S,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415567
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42744695
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42748609
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 42744403

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 7412355) is (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide is COCCNC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)C(C)C.
What is the InChIKey of (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZCTWTMZCIQMMCS-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(2)16(21)19-14(15(20)18-9-10-22-3)11-23-17(19)13-7-5-4-6-8-13/h4-8,12,14,17H,9-11H2,1-3H3,(H,18,20)/t14-,17-/m1/s1.
What are the key properties of (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7412355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).