2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide

C13H8F6N2OS — CID 15278675

IUPAC2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide
SMILESCc1cn(-c2ccc(F)c(C(F)(F)F)c2)/c(=N/C(=O)C(F)F)s1
InChIInChI=1S/C13H8F6N2OS/c1-6-5-21(12(23-6)20-11(22)10(15)16)7-2-3-9(14)8(4-7)13(17,18)19/h2-5,10H,1H3/b20-12-
InChIKeyWNGHNLJVMMVDEU-NDENLUEZSA-N
MW354.28 g/mol
LogP3.70
Rot. Bonds2

About 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide

2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide (PubChem CID 15278675) has the molecular formula C13H8F6N2OS and a molecular weight of 354.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide
PubChem CID15278675
Molecular FormulaC13H8F6N2OS
Molecular Weight354.28 g/mol
Exact Mass354.03
IUPAC Name2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide
SMILESCc1cn(-c2ccc(F)c(C(F)(F)F)c2)/c(=N/C(=O)C(F)F)s1
InChIInChI=1S/C13H8F6N2OS/c1-6-5-21(12(23-6)20-11(22)10(15)16)7-2-3-9(14)8(4-7)13(17,18)19/h2-5,10H,1H3/b20-12-
InChIKeyWNGHNLJVMMVDEU-NDENLUEZSA-N
XLogP3.70
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide (CID 15278675) is 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide is Cc1cn(-c2ccc(F)c(C(F)(F)F)c2)/c(=N/C(=O)C(F)F)s1.
What is the InChIKey of 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is WNGHNLJVMMVDEU-NDENLUEZSA-N. The full InChI is InChI=1S/C13H8F6N2OS/c1-6-5-21(12(23-6)20-11(22)10(15)16)7-2-3-9(14)8(4-7)13(17,18)19/h2-5,10H,1H3/b20-12-.
What are the key properties of 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide?
2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 354.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 15278675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).