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

C7H9BF3N2S- — CID 118996706

IUPACtrifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide
SMILESF[B-](F)(F)c1csc(N2CCCC2)n1
InChIInChI=1S/C7H9BF3N2S/c9-8(10,11)6-5-14-7(12-6)13-3-1-2-4-13/h5H,1-4H2/q-1
InChIKeyIWTJFVFAXWYUHM-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.80
Rot. Bonds2

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

trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide (PubChem CID 118996706) has the molecular formula C7H9BF3N2S- and a molecular weight of 221.04 g/mol. Its IUPAC name is trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide
PubChem CID118996706
Molecular FormulaC7H9BF3N2S-
Molecular Weight221.04 g/mol
Exact Mass221.05
IUPAC Nametrifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide
SMILESF[B-](F)(F)c1csc(N2CCCC2)n1
InChIInChI=1S/C7H9BF3N2S/c9-8(10,11)6-5-14-7(12-6)13-3-1-2-4-13/h5H,1-4H2/q-1
InChIKeyIWTJFVFAXWYUHM-UHFFFAOYSA-N
XLogP1.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide?
The IUPAC name of trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide (CID 118996706) is trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide.
What is the SMILES notation for trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide?
The canonical SMILES for trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide is F[B-](F)(F)c1csc(N2CCCC2)n1.
What is the InChIKey of trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide?
The InChIKey is IWTJFVFAXWYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BF3N2S/c9-8(10,11)6-5-14-7(12-6)13-3-1-2-4-13/h5H,1-4H2/q-1.
What are the key properties of trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide?
trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide has a molecular weight of 221.04 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)boranuide is sourced from PubChem (CID 118996706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).