2-ethyl-4-(trifluoromethyl)-1,3-thiazole

C6H6F3NS — CID 23533397

IUPAC2-ethyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NS/c1-2-5-10-4(3-11-5)6(7,8)9/h3H,2H2,1H3
InChIKeyLQVIEHMXGCSDLJ-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.72
Rot. Bonds1

About 2-ethyl-4-(trifluoromethyl)-1,3-thiazole

2-ethyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 23533397) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 2-ethyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID23533397
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name2-ethyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NS/c1-2-5-10-4(3-11-5)6(7,8)9/h3H,2H2,1H3
InChIKeyLQVIEHMXGCSDLJ-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylthiazole
CID 10934
2-Isopropyl-4-methylthiazole
CID 61808
2-Ethyl-4-methyl thiazole
CID 27440
4-Ethyl-2-methylthiazole
CID 520568
2-Isobutyl-4-methylthiazole
CID 574813
2,4-Diethylthiazole
CID 122576
4-Ethyl-2-propylthiazole
CID 521078
4-Methyl-2-propylthiazole
CID 521382
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
2-Butyl-4-methylthiazole
CID 574807
2-(4-Methyl-1,3-thiazol-2-yl)acetonitrile
CID 737184
4-Ethynyl-2-methyl-1,3-thiazole
CID 11622334

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(trifluoromethyl)-1,3-thiazole (CID 23533397) is 2-ethyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(trifluoromethyl)-1,3-thiazole is CCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-ethyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LQVIEHMXGCSDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-2-5-10-4(3-11-5)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 2-ethyl-4-(trifluoromethyl)-1,3-thiazole?
2-ethyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 181.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 23533397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).