[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

C7H8F3NOS — CID 105464736

IUPAC[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESCCc1sc(CO)nc1C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-2-4-6(7(8,9)10)11-5(3-12)13-4/h12H,2-3H2,1H3
InChIKeyGPDVTAQKAVCQBI-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.22
Rot. Bonds2

About [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 105464736) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID105464736
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESCCc1sc(CO)nc1C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c1-2-4-6(7(8,9)10)11-5(3-12)13-4/h12H,2-3H2,1H3
InChIKeyGPDVTAQKAVCQBI-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluoro-4-methylthiazol-5-YL)ethanol
CID 308132
2-(2,4-Dimethylthiazol-5-yl)ethanol
CID 58820336
2-[4-(Hydroxymethyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 129253745
2-[4-Methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-5-yl]ethyl nitrate
CID 11254667
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 22106675
1-[5-(2-Aminooxyperoxyethyl)-4-methyl-1,3-thiazol-2-yl]-2,2,2-trifluoroethanol
CID 60015472
5-[2-(Dihydroxyamino)oxyethyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole
CID 66641594
5-Ethyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 66806180
1-(2,4-Dimethylthiazol-5-yl)-2,2,2-trifluoroethanol
CID 67401234
4-(Difluoromethyl)-5-ethyl-2-methyl-1,3-thiazole
CID 68039599
5-Ethyl-4-(fluoromethyl)-2-methyl-1,3-thiazole
CID 68048755
4-Methyl-2-(trifluoromethyl)-5-thiazoleethanol
CID 140120084

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (CID 105464736) is [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is CCc1sc(CO)nc1C(F)(F)F.
What is the InChIKey of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is GPDVTAQKAVCQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-2-4-6(7(8,9)10)11-5(3-12)13-4/h12H,2-3H2,1H3.
What are the key properties of [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 211.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 105464736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).