2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole

C7H6F3NOS — CID 164588486

IUPAC2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2COC2)n1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)5-3-13-6(11-5)4-1-12-2-4/h3-4H,1-2H2
InChIKeyAJOUQIQMYKMAML-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.28
Rot. Bonds1

About 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 164588486) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID164588486
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2COC2)n1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)5-3-13-6(11-5)4-1-12-2-4/h3-4H,1-2H2
InChIKeyAJOUQIQMYKMAML-UHFFFAOYSA-N
XLogP2.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-4-trifluoromethylthiazole
CID 16427112
2-Ethyl-4-(trifluoromethyl)thiazole
CID 23533397
2-Methoxy-4-(trifluoromethyl)-1,3-thiazole
CID 59710653
2-(4-(Trifluoromethyl)thiazol-2-yl)ethan-1-ol
CID 84667361
2-Ethoxy-4-(trifluoromethyl)-1,3-thiazole
CID 89008183
4-(Difluoromethyl)-2-propan-2-yl-1,3-thiazole
CID 126988441
2-Cyclopropyl-4-(trifluoromethyl)-1,3-thiazole
CID 130167067
2-(2-Fluoropropan-2-yl)-4-(trifluoromethyl)thiazole
CID 164588502
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol
CID 167193773
Tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane
CID 172804430
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethyl formate
CID 174546263
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 176371161

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 164588486) is 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(C2COC2)n1.
What is the InChIKey of 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AJOUQIQMYKMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)5-3-13-6(11-5)4-1-12-2-4/h3-4H,1-2H2.
What are the key properties of 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 209.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 164588486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).