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

C8H14N2O3S — CID 18961028

IUPACN-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCCCCO)CS1
InChIInChI=1S/C8H14N2O3S/c11-4-2-1-3-9-7(12)6-5-14-8(13)10-6/h6,11H,1-5H2,(H,9,12)(H,10,13)
InChIKeySQZYWKSLUDQBEN-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.30
Rot. Bonds5

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

N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 18961028) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID18961028
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCCCCO)CS1
InChIInChI=1S/C8H14N2O3S/c11-4-2-1-3-9-7(12)6-5-14-8(13)10-6/h6,11H,1-5H2,(H,9,12)(H,10,13)
InChIKeySQZYWKSLUDQBEN-UHFFFAOYSA-N
XLogP-0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 18961028) is N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCCCCO)CS1.
What is the InChIKey of N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is SQZYWKSLUDQBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c11-4-2-1-3-9-7(12)6-5-14-8(13)10-6/h6,11H,1-5H2,(H,9,12)(H,10,13).
What are the key properties of N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 18961028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).