trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide

C4H4BF3NOS- — CID 63703627

IUPACtrifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
SMILESO=c1sccn1C[B-](F)(F)F
InChIInChI=1S/C4H4BF3NOS/c6-5(7,8)3-9-1-2-11-4(9)10/h1-2H,3H2/q-1
InChIKeyDUEOGUZJEIOVPM-UHFFFAOYSA-N
MW181.96 g/mol
LogP1.30
Rot. Bonds2

About trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide

trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide (PubChem CID 63703627) has the molecular formula C4H4BF3NOS- and a molecular weight of 181.96 g/mol. Its IUPAC name is trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
PubChem CID63703627
Molecular FormulaC4H4BF3NOS-
Molecular Weight181.96 g/mol
Exact Mass182.01
IUPAC Nametrifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
SMILESO=c1sccn1C[B-](F)(F)F
InChIInChI=1S/C4H4BF3NOS/c6-5(7,8)3-9-1-2-11-4(9)10/h1-2H,3H2/q-1
InChIKeyDUEOGUZJEIOVPM-UHFFFAOYSA-N
XLogP1.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.96
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluoromethyl)-1,3-thiazol-2-one
CID 15171125
3-(Trifluoromethyl)-1,3-thiazol-2-one
CID 49781570
3-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-one
CID 115659231
3-(2,2-Difluoroethyl)-1,3-thiazol-2-one
CID 115749768
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
Potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
CID 63703626

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide (CID 63703627) is trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide is O=c1sccn1C[B-](F)(F)F.
What is the InChIKey of trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
The InChIKey is DUEOGUZJEIOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BF3NOS/c6-5(7,8)3-9-1-2-11-4(9)10/h1-2H,3H2/q-1.
What are the key properties of trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide has a molecular weight of 181.96 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide is sourced from PubChem (CID 63703627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).