ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

C9H16F3NOS — CID 166088272

IUPACethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESCC.CC.OCc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NOS.2C2H6/c6-5(7,8)3-1-9-4(2-10)11-3;2*1-2/h1,10H,2H2;2*1-2H3
InChIKeyPECZOMCWVJQGGR-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.71
Rot. Bonds1

About ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol

ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 166088272) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Nameethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
PubChem CID166088272
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Nameethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
SMILESCC.CC.OCc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3NOS.2C2H6/c6-5(7,8)3-1-9-4(2-10)11-3;2*1-2/h1,10H,2H2;2*1-2H3
InChIKeyPECZOMCWVJQGGR-UHFFFAOYSA-N
XLogP3.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol (CID 166088272) is ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is CC.CC.OCc1ncc(C(F)(F)F)s1.
What is the InChIKey of ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is PECZOMCWVJQGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS.2C2H6/c6-5(7,8)3-1-9-4(2-10)11-3;2*1-2/h1,10H,2H2;2*1-2H3.
What are the key properties of ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol?
ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 243.29 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 166088272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).