trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide

C7H9BF3N2OS- — CID 167717268

IUPACtrifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide
SMILESF[B-](F)(F)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C7H9BF3N2OS/c9-8(10,11)6-5-12-7(15-6)13-1-3-14-4-2-13/h5H,1-4H2/q-1
InChIKeyGYKAJMRQLMHPEC-UHFFFAOYSA-N
MW237.03 g/mol
LogP1.03
Rot. Bonds2

About trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide

trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide (PubChem CID 167717268) has the molecular formula C7H9BF3N2OS- and a molecular weight of 237.03 g/mol. Its IUPAC name is trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide
PubChem CID167717268
Molecular FormulaC7H9BF3N2OS-
Molecular Weight237.03 g/mol
Exact Mass237.05
IUPAC Nametrifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide
SMILESF[B-](F)(F)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C7H9BF3N2OS/c9-8(10,11)6-5-12-7(15-6)13-1-3-14-4-2-13/h5H,1-4H2/q-1
InChIKeyGYKAJMRQLMHPEC-UHFFFAOYSA-N
XLogP1.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.03
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide?
The IUPAC name of trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide (CID 167717268) is trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide.
What is the SMILES notation for trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide?
The canonical SMILES for trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide is F[B-](F)(F)c1cnc(N2CCOCC2)s1.
What is the InChIKey of trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide?
The InChIKey is GYKAJMRQLMHPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BF3N2OS/c9-8(10,11)6-5-12-7(15-6)13-1-3-14-4-2-13/h5H,1-4H2/q-1.
What are the key properties of trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide?
trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide has a molecular weight of 237.03 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-morpholin-4-yl-1,3-thiazol-5-yl)boranuide is sourced from PubChem (CID 167717268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).