(4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

C7H12N2O3S — CID 21309140

IUPAC(4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C7H12N2O3S/c1-4(2-10)8-6(11)5-3-13-7(12)9-5/h4-5,10H,2-3H2,1H3,(H,8,11)(H,9,12)/t4-,5-/m0/s1
InChIKeySLIQGSLHMUOOEU-WHFBIAKZSA-N
MW204.25 g/mol
LogP-0.69
Rot. Bonds3

About (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 21309140) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID21309140
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name(4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H](CO)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C7H12N2O3S/c1-4(2-10)8-6(11)5-3-13-7(12)9-5/h4-5,10H,2-3H2,1H3,(H,8,11)(H,9,12)/t4-,5-/m0/s1
InChIKeySLIQGSLHMUOOEU-WHFBIAKZSA-N
XLogP-0.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 21309140) is (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is C[C@@H](CO)NC(=O)[C@@H]1CSC(=O)N1.
What is the InChIKey of (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is SLIQGSLHMUOOEU-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-4(2-10)8-6(11)5-3-13-7(12)9-5/h4-5,10H,2-3H2,1H3,(H,8,11)(H,9,12)/t4-,5-/m0/s1.
What are the key properties of (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 204.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 21309140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).