N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C5H2BrF3N2OS — CID 21094191

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ncc(Br)s1)C(F)(F)F
InChIInChI=1S/C5H2BrF3N2OS/c6-2-1-10-4(13-2)11-3(12)5(7,8)9/h1H,(H,10,11,12)
InChIKeyMZBBHMNHUOVRQO-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.41
Rot. Bonds1

About N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 21094191) has the molecular formula C5H2BrF3N2OS and a molecular weight of 275.05 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID21094191
Molecular FormulaC5H2BrF3N2OS
Molecular Weight275.05 g/mol
Exact Mass273.90
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ncc(Br)s1)C(F)(F)F
InChIInChI=1S/C5H2BrF3N2OS/c6-2-1-10-4(13-2)11-3(12)5(7,8)9/h1H,(H,10,11,12)
InChIKeyMZBBHMNHUOVRQO-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 21094191) is N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ncc(Br)s1)C(F)(F)F.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is MZBBHMNHUOVRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2OS/c6-2-1-10-4(13-2)11-3(12)5(7,8)9/h1H,(H,10,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 275.05 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 21094191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).