2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole

C9H7F3N2OS2 — CID 22106697

IUPAC2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole
SMILESCOC(c1nccs1)(c1nccs1)C(F)(F)F
InChIInChI=1S/C9H7F3N2OS2/c1-15-8(9(10,11)12,6-13-2-4-16-6)7-14-3-5-17-7/h2-5H,1H3
InChIKeyPUTGZLICACRKRY-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.05
Rot. Bonds3

About 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole

2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole (PubChem CID 22106697) has the molecular formula C9H7F3N2OS2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole
PubChem CID22106697
Molecular FormulaC9H7F3N2OS2
Molecular Weight280.30 g/mol
Exact Mass280.00
IUPAC Name2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole
SMILESCOC(c1nccs1)(c1nccs1)C(F)(F)F
InChIInChI=1S/C9H7F3N2OS2/c1-15-8(9(10,11)12,6-13-2-4-16-6)7-14-3-5-17-7/h2-5H,1H3
InChIKeyPUTGZLICACRKRY-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole with MolForge

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Related Compounds

1,1-Di(2-thiazolyl)-2,2,2-trifluoroethanol
CID 9860114
2-Thiazolemethanol, alpha-methyl-alpha-(trifluoromethyl)-
CID 12992809
1-(4-Methyl-2-thiazolyl)-1-(2-thiazolyl)-2,2,2-tri-fluoroethanol
CID 22106691
[2,2,2-Trifluoro-1,1-bis(1,3-thiazol-2-yl)ethyl] acetate
CID 54444142
CID 58450350
CID 58450350
2-(2,2,2-Trifluoro-1-methoxyethyl)-1,3-thiazole
CID 68216031
1,1-Difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
2-[1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole
CID 86213976
1,1-Di(2-thiazolyl)ethanol
CID 22106696
Bis(1,3-thiazol-2-yl)methanol
CID 53718288
2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-yl)propanethioamide
CID 53954401
2-(2-Methoxypropan-2-yl)-1,3-thiazole
CID 58221731

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole (CID 22106697) is 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole is COC(c1nccs1)(c1nccs1)C(F)(F)F.
What is the InChIKey of 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
The InChIKey is PUTGZLICACRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS2/c1-15-8(9(10,11)12,6-13-2-4-16-6)7-14-3-5-17-7/h2-5H,1H3.
What are the key properties of 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole?
2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole has a molecular weight of 280.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoro-1-methoxy-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 22106697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).