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

C5H6F3NS — CID 59168900

IUPAC2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(C(F)(F)F)CS1
InChIInChI=1S/C5H6F3NS/c1-3-9-4(2-10-3)5(6,7)8/h4H,2H2,1H3
InChIKeyUWMZLARTCNSZKO-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.08
Rot. Bonds

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

2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 59168900) has the molecular formula C5H6F3NS and a molecular weight of 169.17 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
PubChem CID59168900
Molecular FormulaC5H6F3NS
Molecular Weight169.17 g/mol
Exact Mass169.02
IUPAC Name2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(C(F)(F)F)CS1
InChIInChI=1S/C5H6F3NS/c1-3-9-4(2-10-3)5(6,7)8/h4H,2H2,1H3
InChIKeyUWMZLARTCNSZKO-UHFFFAOYSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole (CID 59168900) is 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is CC1=NC(C(F)(F)F)CS1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is UWMZLARTCNSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NS/c1-3-9-4(2-10-3)5(6,7)8/h4H,2H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole?
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 169.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 59168900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).