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

C8H14N2O3S — CID 67796187

IUPAC(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCCCC(O)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-2-3-6(11)10-7(12)5-4-14-8(13)9-5/h5-6,11H,2-4H2,1H3,(H,9,13)(H,10,12)/t5-,6?/m0/s1
InChIKeyDWNUWWSLBHYRKZ-ZBHICJROSA-N
MW218.28 g/mol
LogP0.05
Rot. Bonds4

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

(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 67796187) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID67796187
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCCCC(O)NC(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-2-3-6(11)10-7(12)5-4-14-8(13)9-5/h5-6,11H,2-4H2,1H3,(H,9,13)(H,10,12)/t5-,6?/m0/s1
InChIKeyDWNUWWSLBHYRKZ-ZBHICJROSA-N
XLogP0.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 67796187) is (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is CCCC(O)NC(=O)[C@@H]1CSC(=O)N1.
What is the InChIKey of (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is DWNUWWSLBHYRKZ-ZBHICJROSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-3-6(11)10-7(12)5-4-14-8(13)9-5/h5-6,11H,2-4H2,1H3,(H,9,13)(H,10,12)/t5-,6?/m0/s1.
What are the key properties of (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
(4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 67796187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).