2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine

C4H2BrF3N2S — CID 118969990

IUPAC2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine
SMILESFC(F)(F)Nc1csc(Br)n1
InChIInChI=1S/C4H2BrF3N2S/c5-3-9-2(1-11-3)10-4(6,7)8/h1,10H
InChIKeyJMKSNUURUWOXLH-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.84
Rot. Bonds1

About 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine

2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine (PubChem CID 118969990) has the molecular formula C4H2BrF3N2S and a molecular weight of 247.04 g/mol. Its IUPAC name is 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine
PubChem CID118969990
Molecular FormulaC4H2BrF3N2S
Molecular Weight247.04 g/mol
Exact Mass245.91
IUPAC Name2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine
SMILESFC(F)(F)Nc1csc(Br)n1
InChIInChI=1S/C4H2BrF3N2S/c5-3-9-2(1-11-3)10-4(6,7)8/h1,10H
InChIKeyJMKSNUURUWOXLH-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine (CID 118969990) is 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine is FC(F)(F)Nc1csc(Br)n1.
What is the InChIKey of 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine?
The InChIKey is JMKSNUURUWOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF3N2S/c5-3-9-2(1-11-3)10-4(6,7)8/h1,10H.
What are the key properties of 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine?
2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine has a molecular weight of 247.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(trifluoromethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 118969990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).