(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

C15H21N3O2S — CID 124614611

IUPAC(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C15H21N3O2S/c1-11(16-14(19)13-10-21-15(20)17-13)8-18(2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,20)/t11-,13-/m0/s1
InChIKeyPBUXFIXOQBJKRD-AAEUAGOBSA-N
MW307.42 g/mol
LogP1.45
Rot. Bonds6

About (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 124614611) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID124614611
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C15H21N3O2S/c1-11(16-14(19)13-10-21-15(20)17-13)8-18(2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,20)/t11-,13-/m0/s1
InChIKeyPBUXFIXOQBJKRD-AAEUAGOBSA-N
XLogP1.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82945792
3-(4-hydroxyphenyl)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 43102486
N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 54963556
(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124780262
1-[(2R)-1-[benzyl(methyl)amino]propan-2-yl]-3-(2,4,5-trifluorophenyl)urea
CID 97259038
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
CID 120994064
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
CID 124777171
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[[3-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122014573
2-N-[1-[benzyl(methyl)amino]propan-2-yl]propane-1,2-diamine
CID 130563657

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 124614611) is (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CSC(=O)N1.
What is the InChIKey of (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is PBUXFIXOQBJKRD-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(16-14(19)13-10-21-15(20)17-13)8-18(2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,20)/t11-,13-/m0/s1.
What are the key properties of (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124614611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).