(4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C8H14N2O3S — CID 142625666

IUPAC(4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)[C@@H]1CSC(=O)N1CCCCO
InChIInChI=1S/C8H14N2O3S/c9-7(12)6-5-14-8(13)10(6)3-1-2-4-11/h6,11H,1-5H2,(H2,9,12)/t6-/m0/s1
InChIKeyRPJGQBLWYDJUHZ-LURJTMIESA-N
MW218.28 g/mol
LogP-0.22
Rot. Bonds5

About (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide

(4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 142625666) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID142625666
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name(4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNC(=O)[C@@H]1CSC(=O)N1CCCCO
InChIInChI=1S/C8H14N2O3S/c9-7(12)6-5-14-8(13)10(6)3-1-2-4-11/h6,11H,1-5H2,(H2,9,12)/t6-/m0/s1
InChIKeyRPJGQBLWYDJUHZ-LURJTMIESA-N
XLogP-0.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-3-(4-hydroxybutyl)-2-oxo-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

2-Amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(methylsulfanyl)propan-1-one hydrochloride
CID 146050082
2-Amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(methylsulfanyl)propan-1-one
CID 146050083
N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961028
2-(4-Hydroxy-2-oxo-5-propyl-1,3-thiazolidin-3-yl)propanamide
CID 25116147
(4R)-N-(4-Hydroxybutyl)-2-oxothiazolidine-4-carboxamide
CID 54320074
(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 67796187
4-[(4R)-4-carbamoyl-2-oxo-1,3-thiazolidin-3-yl]butyl nitrate
CID 142625662
(4R)-3-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 142625682
N-(3-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 43363341
N-(1-hydroxybutan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418047
N-(1-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43500028
N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43500341

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 142625666) is (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is NC(=O)[C@@H]1CSC(=O)N1CCCCO.
What is the InChIKey of (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is RPJGQBLWYDJUHZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3S/c9-7(12)6-5-14-8(13)10(6)3-1-2-4-11/h6,11H,1-5H2,(H2,9,12)/t6-/m0/s1.
What are the key properties of (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
(4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 142625666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).