2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C12H18N4O4S — CID 78523130

IUPAC2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(C1CSCN1)N1CCN2C(=O)N(CCO)C(=O)C2C1
InChIInChI=1S/C12H18N4O4S/c17-4-3-16-11(19)9-5-14(1-2-15(9)12(16)20)10(18)8-6-21-7-13-8/h8-9,13,17H,1-7H2
InChIKeyDURVWVSFHMYXHM-UHFFFAOYSA-N
MW314.37 g/mol
LogP-1.88
Rot. Bonds3

About 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 78523130) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID78523130
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(C1CSCN1)N1CCN2C(=O)N(CCO)C(=O)C2C1
InChIInChI=1S/C12H18N4O4S/c17-4-3-16-11(19)9-5-14(1-2-15(9)12(16)20)10(18)8-6-21-7-13-8/h8-9,13,17H,1-7H2
InChIKeyDURVWVSFHMYXHM-UHFFFAOYSA-N
XLogP-1.88
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 78523130) is 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C(C1CSCN1)N1CCN2C(=O)N(CCO)C(=O)C2C1.
What is the InChIKey of 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is DURVWVSFHMYXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c17-4-3-16-11(19)9-5-14(1-2-15(9)12(16)20)10(18)8-6-21-7-13-8/h8-9,13,17H,1-7H2.
What are the key properties of 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 314.37 g/mol, XLogP of -1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 78523130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).