3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide

C7H4F6N2OS — CID 567765

IUPAC3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1nccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F6N2OS/c8-6(9,10)3(7(11,12)13)4(16)15-5-14-1-2-17-5/h1-3H,(H,14,15,16)
InChIKeyDJWRZBVPECZYKS-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.82
Rot. Bonds2

About 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide (PubChem CID 567765) has the molecular formula C7H4F6N2OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
PubChem CID567765
Molecular FormulaC7H4F6N2OS
Molecular Weight278.18 g/mol
Exact Mass277.99
IUPAC Name3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1nccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F6N2OS/c8-6(9,10)3(7(11,12)13)4(16)15-5-14-1-2-17-5/h1-3H,(H,14,15,16)
InChIKeyDJWRZBVPECZYKS-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide (CID 567765) is 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide is O=C(Nc1nccs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is DJWRZBVPECZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2OS/c8-6(9,10)3(7(11,12)13)4(16)15-5-14-1-2-17-5/h1-3H,(H,14,15,16).
What are the key properties of 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 278.18 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 567765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).