(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide

C17H24N2O3S — CID 95151733

IUPAC(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1OC
InChIInChI=1S/C17H24N2O3S/c1-4-12(2)17(21)19-11-23-10-14(19)16(20)18-9-13-7-5-6-8-15(13)22-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,20)/t12-,14-/m0/s1
InChIKeyHSTWXALPTAPGIA-JSGCOSHPSA-N
MW336.46 g/mol
LogP2.26
Rot. Bonds6

About (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95151733) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95151733
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1OC
InChIInChI=1S/C17H24N2O3S/c1-4-12(2)17(21)19-11-23-10-14(19)16(20)18-9-13-7-5-6-8-15(13)22-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,20)/t12-,14-/m0/s1
InChIKeyHSTWXALPTAPGIA-JSGCOSHPSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
(4S)-3-[(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 98512356
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
1-(adamantane-1-carbonyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 73243636
3-benzoyl-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 55511876
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 158035818
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
(3R,9bR)-N-[(2-methoxyphenyl)methyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7741007
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide (CID 95151733) is (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide is CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1OC.
What is the InChIKey of (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HSTWXALPTAPGIA-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-4-12(2)17(21)19-11-23-10-14(19)16(20)18-9-13-7-5-6-8-15(13)22-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,20)/t12-,14-/m0/s1.
What are the key properties of (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2-methoxyphenyl)methyl]-3-[(2S)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95151733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).