N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)

C9H8F6N2O5S — CID 175756631

IUPACN-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)Nc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2OS.2C2HF3O2/c1-4(8)7-5-6-2-3-9-5;2*3-2(4,5)1(6)7/h2-3H,1H3,(H,6,7,8);2*(H,6,7)
InChIKeyVSUDMNXEZPLPIM-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.37
Rot. Bonds1

About N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)

N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 175756631) has the molecular formula C9H8F6N2O5S and a molecular weight of 370.23 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID175756631
Molecular FormulaC9H8F6N2O5S
Molecular Weight370.23 g/mol
Exact Mass370.01
IUPAC NameN-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)Nc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2OS.2C2HF3O2/c1-4(8)7-5-6-2-3-9-5;2*3-2(4,5)1(6)7/h2-3H,1H3,(H,6,7,8);2*(H,6,7)
InChIKeyVSUDMNXEZPLPIM-UHFFFAOYSA-N
XLogP2.37
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid) (CID 175756631) is N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid) is CC(=O)Nc1nccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VSUDMNXEZPLPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.2C2HF3O2/c1-4(8)7-5-6-2-3-9-5;2*3-2(4,5)1(6)7/h2-3H,1H3,(H,6,7,8);2*(H,6,7).
What are the key properties of N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid)?
N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 370.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175756631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).