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

C7HF9N2OS — CID 15710713

IUPACN-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C(F)(F)F)s1)C(F)(F)F
InChIInChI=1S/C7HF9N2OS/c8-5(9,10)1-2(6(11,12)13)20-4(17-1)18-3(19)7(14,15)16/h(H,17,18,19)
InChIKeyUIHGCQXBQFEGSW-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.68
Rot. Bonds1

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

N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 15710713) has the molecular formula C7HF9N2OS and a molecular weight of 332.15 g/mol. Its IUPAC name is N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
PubChem CID15710713
Molecular FormulaC7HF9N2OS
Molecular Weight332.15 g/mol
Exact Mass331.97
IUPAC NameN-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C(F)(F)F)s1)C(F)(F)F
InChIInChI=1S/C7HF9N2OS/c8-5(9,10)1-2(6(11,12)13)20-4(17-1)18-3(19)7(14,15)16/h(H,17,18,19)
InChIKeyUIHGCQXBQFEGSW-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (CID 15710713) is N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is O=C(Nc1nc(C(F)(F)F)c(C(F)(F)F)s1)C(F)(F)F.
What is the InChIKey of N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UIHGCQXBQFEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF9N2OS/c8-5(9,10)1-2(6(11,12)13)20-4(17-1)18-3(19)7(14,15)16/h(H,17,18,19).
What are the key properties of N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 332.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15710713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).