[2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide

C5H7BF3N2S- — CID 166000325

IUPAC[2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide
SMILESCN(C)c1nc([B-](F)(F)F)cs1
InChIInChI=1S/C5H7BF3N2S/c1-11(2)5-10-4(3-12-5)6(7,8)9/h3H,1-2H3/q-1
InChIKeyXIAGBRGYLYLMAP-UHFFFAOYSA-N
MW195.00 g/mol
LogP1.26
Rot. Bonds2

About [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide

[2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide (PubChem CID 166000325) has the molecular formula C5H7BF3N2S- and a molecular weight of 195.00 g/mol. Its IUPAC name is [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide.

Molecular Properties

Compound Name[2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide
PubChem CID166000325
Molecular FormulaC5H7BF3N2S-
Molecular Weight195.00 g/mol
Exact Mass195.04
IUPAC Name[2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide
SMILESCN(C)c1nc([B-](F)(F)F)cs1
InChIInChI=1S/C5H7BF3N2S/c1-11(2)5-10-4(3-12-5)6(7,8)9/h3H,1-2H3/q-1
InChIKeyXIAGBRGYLYLMAP-UHFFFAOYSA-N
XLogP1.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide?
The IUPAC name of [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide (CID 166000325) is [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide.
What is the SMILES notation for [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide?
The canonical SMILES for [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide is CN(C)c1nc([B-](F)(F)F)cs1.
What is the InChIKey of [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide?
The InChIKey is XIAGBRGYLYLMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BF3N2S/c1-11(2)5-10-4(3-12-5)6(7,8)9/h3H,1-2H3/q-1.
What are the key properties of [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide?
[2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide has a molecular weight of 195.00 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1,3-thiazol-4-yl]-trifluoroboranuide is sourced from PubChem (CID 166000325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).