2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole

C6H5F4NS — CID 118074789

IUPAC2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(CF)sc1C(F)(F)F
InChIInChI=1S/C6H5F4NS/c1-3-5(6(8,9)10)12-4(2-7)11-3/h2H2,1H3
InChIKeyWWNICLHMKWTSHO-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.94
Rot. Bonds1

About 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole

2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 118074789) has the molecular formula C6H5F4NS and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole
PubChem CID118074789
Molecular FormulaC6H5F4NS
Molecular Weight199.17 g/mol
Exact Mass199.01
IUPAC Name2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(CF)sc1C(F)(F)F
InChIInChI=1S/C6H5F4NS/c1-3-5(6(8,9)10)12-4(2-7)11-3/h2H2,1H3
InChIKeyWWNICLHMKWTSHO-UHFFFAOYSA-N
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 40787
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CID 104513
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CID 521080
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CID 53517
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CID 9942366
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CID 21100233
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CID 27088992
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CID 46398261
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CID 53422902
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CID 105506161
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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole (CID 118074789) is 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole is Cc1nc(CF)sc1C(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WWNICLHMKWTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4NS/c1-3-5(6(8,9)10)12-4(2-7)11-3/h2H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole?
2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 199.17 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methyl-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 118074789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).