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

C7H7F3N2O3S — CID 175690170

IUPACN-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2OS.C2HF3O2/c1-4(8)7-5-6-2-3-9-5;3-2(4,5)1(6)7/h2-3H,1H3,(H,6,7,8);(H,6,7)
InChIKeyGNLATKHFQHJITH-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.73
Rot. Bonds1

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

N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 175690170) has the molecular formula C7H7F3N2O3S and a molecular weight of 256.21 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID175690170
Molecular FormulaC7H7F3N2O3S
Molecular Weight256.21 g/mol
Exact Mass256.01
IUPAC NameN-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1nccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2OS.C2HF3O2/c1-4(8)7-5-6-2-3-9-5;3-2(4,5)1(6)7/h2-3H,1H3,(H,6,7,8);(H,6,7)
InChIKeyGNLATKHFQHJITH-UHFFFAOYSA-N
XLogP1.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid (CID 175690170) is N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1nccs1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is GNLATKHFQHJITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.C2HF3O2/c1-4(8)7-5-6-2-3-9-5;3-2(4,5)1(6)7/h2-3H,1H3,(H,6,7,8);(H,6,7).
What are the key properties of N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid?
N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 256.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175690170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).