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

C6H6F3NOS — CID 118164811

IUPAC5-ethoxy-2-(trifluoromethyl)-1,3-thiazole
SMILESCCOc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-2-11-4-3-10-5(12-4)6(7,8)9/h3H,2H2,1H3
InChIKeyQMIBWQJWKUNVCC-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.56
Rot. Bonds2

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

5-ethoxy-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 118164811) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethoxy-2-(trifluoromethyl)-1,3-thiazole
PubChem CID118164811
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name5-ethoxy-2-(trifluoromethyl)-1,3-thiazole
SMILESCCOc1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3NOS/c1-2-11-4-3-10-5(12-4)6(7,8)9/h3H,2H2,1H3
InChIKeyQMIBWQJWKUNVCC-UHFFFAOYSA-N
XLogP2.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxy-2-methylthiazole
CID 61976
5-Ethoxythiazole
CID 568152
5-(2,2,2-Trifluoroethoxy)-1,3-thiazole
CID 156409572
5-Methoxythiazole
CID 575308
5-Ethoxy-2,3-dimethyl-1,3-thiazol-3-ium iodide
CID 24190102
5-Ethoxy-2-methyl-1,3-thiazole
CID 15363738
5-(Trifluoromethoxy)-1,3-thiazole
CID 118363937
2-Methyl-5-(trifluoromethoxy)-1,3-thiazole
CID 118466145
2-Propan-2-yl-5-(trifluoromethoxy)-1,3-thiazole
CID 144946123
2-Fluoro-5-methoxy-1,3-thiazole
CID 152655927
5-(Difluoromethoxy)-1,3-thiazole
CID 154460414
2-Bromo-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 156409669

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole (CID 118164811) is 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole is CCOc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is QMIBWQJWKUNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-2-11-4-3-10-5(12-4)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole?
5-ethoxy-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 197.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 118164811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).