N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide

C6HBrF6N2OS — CID 15710702

IUPACN-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(Br)s1)C(F)(F)F
InChIInChI=1S/C6HBrF6N2OS/c7-2-1(5(8,9)10)14-4(17-2)15-3(16)6(11,12)13/h(H,14,15,16)
InChIKeyOUHJYIADHZTHNN-UHFFFAOYSA-N
MW343.05 g/mol
LogP3.43
Rot. Bonds1

About N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide

N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 15710702) has the molecular formula C6HBrF6N2OS and a molecular weight of 343.05 g/mol. Its IUPAC name is N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
PubChem CID15710702
Molecular FormulaC6HBrF6N2OS
Molecular Weight343.05 g/mol
Exact Mass341.89
IUPAC NameN-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(Br)s1)C(F)(F)F
InChIInChI=1S/C6HBrF6N2OS/c7-2-1(5(8,9)10)14-4(17-2)15-3(16)6(11,12)13/h(H,14,15,16)
InChIKeyOUHJYIADHZTHNN-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.05
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (CID 15710702) is N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is O=C(Nc1nc(C(F)(F)F)c(Br)s1)C(F)(F)F.
What is the InChIKey of N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OUHJYIADHZTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF6N2OS/c7-2-1(5(8,9)10)14-4(17-2)15-3(16)6(11,12)13/h(H,14,15,16).
What are the key properties of N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 343.05 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15710702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).