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

C5H5F3N2O2S — CID 87375406

IUPAC1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H4N2S.C2HF3O2/c4-3-5-1-2-6-3;3-2(4,5)1(6)7/h1-2H,(H2,4,5);(H,6,7)
InChIKeyMEQMSFQLJCSOEJ-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.36
Rot. Bonds

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

1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 87375406) has the molecular formula C5H5F3N2O2S and a molecular weight of 214.17 g/mol. Its IUPAC name is 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID87375406
Molecular FormulaC5H5F3N2O2S
Molecular Weight214.17 g/mol
Exact Mass214.00
IUPAC Name1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C3H4N2S.C2HF3O2/c4-3-5-1-2-6-3;3-2(4,5)1(6)7/h1-2H,(H2,4,5);(H,6,7)
InChIKeyMEQMSFQLJCSOEJ-UHFFFAOYSA-N
XLogP1.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 87375406) is 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1nccs1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is MEQMSFQLJCSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.C2HF3O2/c4-3-5-1-2-6-3;3-2(4,5)1(6)7/h1-2H,(H2,4,5);(H,6,7).
What are the key properties of 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 214.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87375406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).