5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

C9H9F3N4O3S — CID 126482666

IUPAC5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C9H9F3N4O3S/c10-9(11,12)8-14-5(6(18)15-13)7(20-8)16-1-2-19-3-4(16)17/h1-3,13H2,(H,15,18)
InChIKeyQRSNPVKCVCCXQF-UHFFFAOYSA-N
MW310.26 g/mol
LogP0.13
Rot. Bonds2

About 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 126482666) has the molecular formula C9H9F3N4O3S and a molecular weight of 310.26 g/mol. Its IUPAC name is 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID126482666
Molecular FormulaC9H9F3N4O3S
Molecular Weight310.26 g/mol
Exact Mass310.03
IUPAC Name5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C9H9F3N4O3S/c10-9(11,12)8-14-5(6(18)15-13)7(20-8)16-1-2-19-3-4(16)17/h1-3,13H2,(H,15,18)
InChIKeyQRSNPVKCVCCXQF-UHFFFAOYSA-N
XLogP0.13
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (CID 126482666) is 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O.
What is the InChIKey of 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is QRSNPVKCVCCXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3S/c10-9(11,12)8-14-5(6(18)15-13)7(20-8)16-1-2-19-3-4(16)17/h1-3,13H2,(H,15,18).
What are the key properties of 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 310.26 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 126482666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).