2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

C5H4BrF3N2S — CID 84806649

IUPAC2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESNc1sc(Br)nc1CC(F)(F)F
InChIInChI=1S/C5H4BrF3N2S/c6-4-11-2(3(10)12-4)1-5(7,8)9/h1,10H2
InChIKeyWCHCXMZPWTWVHH-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.59
Rot. Bonds1

About 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (PubChem CID 84806649) has the molecular formula C5H4BrF3N2S and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
PubChem CID84806649
Molecular FormulaC5H4BrF3N2S
Molecular Weight261.07 g/mol
Exact Mass259.92
IUPAC Name2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESNc1sc(Br)nc1CC(F)(F)F
InChIInChI=1S/C5H4BrF3N2S/c6-4-11-2(3(10)12-4)1-5(7,8)9/h1,10H2
InChIKeyWCHCXMZPWTWVHH-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (CID 84806649) is 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is Nc1sc(Br)nc1CC(F)(F)F.
What is the InChIKey of 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is WCHCXMZPWTWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2S/c6-4-11-2(3(10)12-4)1-5(7,8)9/h1,10H2.
What are the key properties of 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 261.07 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 84806649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).