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

C7H2F8N2OS — CID 15710711

IUPACN-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C(F)F)s1)C(F)(F)F
InChIInChI=1S/C7H2F8N2OS/c8-3(9)1-2(6(10,11)12)16-5(19-1)17-4(18)7(13,14)15/h3H,(H,16,17,18)
InChIKeyUZYSGXFJLQYKNI-UHFFFAOYSA-N
MW314.16 g/mol
LogP3.60
Rot. Bonds2

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

N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 15710711) has the molecular formula C7H2F8N2OS and a molecular weight of 314.16 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
PubChem CID15710711
Molecular FormulaC7H2F8N2OS
Molecular Weight314.16 g/mol
Exact Mass313.98
IUPAC NameN-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C(F)F)s1)C(F)(F)F
InChIInChI=1S/C7H2F8N2OS/c8-3(9)1-2(6(10,11)12)16-5(19-1)17-4(18)7(13,14)15/h3H,(H,16,17,18)
InChIKeyUZYSGXFJLQYKNI-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide (CID 15710711) is N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is O=C(Nc1nc(C(F)(F)F)c(C(F)F)s1)C(F)(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is UZYSGXFJLQYKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F8N2OS/c8-3(9)1-2(6(10,11)12)16-5(19-1)17-4(18)7(13,14)15/h3H,(H,16,17,18).
What are the key properties of N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide?
N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 314.16 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15710711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).