1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)

C7H6F6N2O4S — CID 86678231

IUPAC1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H4N2S.2C2HF3O2/c4-3-5-1-2-6-3;2*3-2(4,5)1(6)7/h1-2H,(H2,4,5);2*(H,6,7)
InChIKeyNBNTYDKTCWFFGR-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.99
Rot. Bonds

About 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)

1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 86678231) has the molecular formula C7H6F6N2O4S and a molecular weight of 328.19 g/mol. Its IUPAC name is 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID86678231
Molecular FormulaC7H6F6N2O4S
Molecular Weight328.19 g/mol
Exact Mass328.00
IUPAC Name1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C3H4N2S.2C2HF3O2/c4-3-5-1-2-6-3;2*3-2(4,5)1(6)7/h1-2H,(H2,4,5);2*(H,6,7)
InChIKeyNBNTYDKTCWFFGR-UHFFFAOYSA-N
XLogP1.99
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 86678231) is 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid) is Nc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NBNTYDKTCWFFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.2C2HF3O2/c4-3-5-1-2-6-3;2*3-2(4,5)1(6)7/h1-2H,(H2,4,5);2*(H,6,7).
What are the key properties of 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid)?
1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 328.19 g/mol, XLogP of 1.99, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 86678231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).