5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C5H4BrF3N2O2S — CID 66545356

IUPAC5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(Br)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H3BrN2S.C2HF3O2/c4-2-1-6-3(5)7-2;3-2(4,5)1(6)7/h1H,(H2,5,6);(H,6,7)
InChIKeySHSMKDUZXIBGAL-UHFFFAOYSA-N
MW293.06 g/mol
LogP2.12
Rot. Bonds

About 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 66545356) has the molecular formula C5H4BrF3N2O2S and a molecular weight of 293.06 g/mol. Its IUPAC name is 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID66545356
Molecular FormulaC5H4BrF3N2O2S
Molecular Weight293.06 g/mol
Exact Mass291.91
IUPAC Name5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(Br)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H3BrN2S.C2HF3O2/c4-2-1-6-3(5)7-2;3-2(4,5)1(6)7/h1H,(H2,5,6);(H,6,7)
InChIKeySHSMKDUZXIBGAL-UHFFFAOYSA-N
XLogP2.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 66545356) is 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1ncc(Br)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is SHSMKDUZXIBGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S.C2HF3O2/c4-2-1-6-3(5)7-2;3-2(4,5)1(6)7/h1H,(H2,5,6);(H,6,7).
What are the key properties of 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 293.06 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66545356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).