4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione

C8H8N2O3S — CID 63789062

IUPAC4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(Cc2nccs2)CC(=O)O1
InChIInChI=1S/C8H8N2O3S/c11-7-4-10(5-8(12)13-7)3-6-9-1-2-14-6/h1-2H,3-5H2
InChIKeyQYCAWBMEMWXNAT-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.03
Rot. Bonds2

About 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione

4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione (PubChem CID 63789062) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
PubChem CID63789062
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(Cc2nccs2)CC(=O)O1
InChIInChI=1S/C8H8N2O3S/c11-7-4-10(5-8(12)13-7)3-6-9-1-2-14-6/h1-2H,3-5H2
InChIKeyQYCAWBMEMWXNAT-UHFFFAOYSA-N
XLogP0.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione?
The IUPAC name of 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione (CID 63789062) is 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione is O=C1CN(Cc2nccs2)CC(=O)O1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione?
The InChIKey is QYCAWBMEMWXNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c11-7-4-10(5-8(12)13-7)3-6-9-1-2-14-6/h1-2H,3-5H2.
What are the key properties of 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione?
4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione has a molecular weight of 212.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione is sourced from PubChem (CID 63789062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).