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

C5H4F3NS — CID 118466344

IUPAC5-methyl-3-(trifluoromethyl)-1,2-thiazole
SMILESCc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3NS/c1-3-2-4(9-10-3)5(6,7)8/h2H,1H3
InChIKeyADAGAQSANDQDSP-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.47
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-1,2-thiazole (PubChem CID 118466344) has the molecular formula C5H4F3NS and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-1,2-thiazole
PubChem CID118466344
Molecular FormulaC5H4F3NS
Molecular Weight167.16 g/mol
Exact Mass167.00
IUPAC Name5-methyl-3-(trifluoromethyl)-1,2-thiazole
SMILESCc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H4F3NS/c1-3-2-4(9-10-3)5(6,7)8/h2H,1H3
InChIKeyADAGAQSANDQDSP-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-1,2-thiazole (CID 118466344) is 5-methyl-3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-1,2-thiazole is Cc1cc(C(F)(F)F)ns1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is ADAGAQSANDQDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS/c1-3-2-4(9-10-3)5(6,7)8/h2H,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)-1,2-thiazole?
5-methyl-3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 167.16 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 118466344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).