5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine

C5H5BrF2N2S — CID 130633486

IUPAC5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)CNc1ncc(Br)s1
InChIInChI=1S/C5H5BrF2N2S/c6-3-1-9-5(11-3)10-2-4(7)8/h1,4H,2H2,(H,9,10)
InChIKeyUPTOAOLVBJEQNC-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.58
Rot. Bonds3

About 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine

5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine (PubChem CID 130633486) has the molecular formula C5H5BrF2N2S and a molecular weight of 243.08 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
PubChem CID130633486
Molecular FormulaC5H5BrF2N2S
Molecular Weight243.08 g/mol
Exact Mass241.93
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)CNc1ncc(Br)s1
InChIInChI=1S/C5H5BrF2N2S/c6-3-1-9-5(11-3)10-2-4(7)8/h1,4H,2H2,(H,9,10)
InChIKeyUPTOAOLVBJEQNC-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine (CID 130633486) is 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine is FC(F)CNc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UPTOAOLVBJEQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF2N2S/c6-3-1-9-5(11-3)10-2-4(7)8/h1,4H,2H2,(H,9,10).
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine?
5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 243.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130633486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).