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

C6H6F3NOS — CID 89008183

IUPAC2-ethoxy-4-(trifluoromethyl)-1,3-thiazole
SMILESCCOc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NOS/c1-2-11-5-10-4(3-12-5)6(7,8)9/h3H,2H2,1H3
InChIKeyTXAYKLLSNMSSSZ-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.56
Rot. Bonds2

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

2-ethoxy-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 89008183) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethoxy-4-(trifluoromethyl)-1,3-thiazole
PubChem CID89008183
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name2-ethoxy-4-(trifluoromethyl)-1,3-thiazole
SMILESCCOc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H6F3NOS/c1-2-11-5-10-4(3-12-5)6(7,8)9/h3H,2H2,1H3
InChIKeyTXAYKLLSNMSSSZ-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

Analyze 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-4-(trifluoromethyl)-1,3-thiazole
CID 17803785
2-Iodo-4-(trifluoromethyl)-1,3-thiazole
CID 23154585
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanol
CID 23560688
2-Methyl-4-(trifluoromethyl)-1,3-thiazole
CID 15717201
2-Methoxy-4-methylthiazole
CID 12743059
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
Thiazole, 2-[(difluoromethyl)thio]-4-methyl-
CID 20719787
2-Fluoro-4-methylthiazole
CID 20719789
3-[2-(Trifluoromethoxy)-1,3-thiazol-4-yl]prop-2-yn-1-ol
CID 21299762
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
2-Ethyl-4-(trifluoromethyl)thiazole
CID 23533397
4-(Difluoromethyl)-2-methyl-thiazole
CID 53874264

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole (CID 89008183) is 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole is CCOc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is TXAYKLLSNMSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-2-11-5-10-4(3-12-5)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole?
2-ethoxy-4-(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 2-ethoxy-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 89008183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).