[5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C13H12F3NO2S — CID 106782073

IUPAC[5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1CC1c1ccc(C(O)c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C13H12F3NO2S/c1-6-4-7(6)8-2-3-9(19-8)11(18)10-5-17-12(20-10)13(14,15)16/h2-3,5-7,11,18H,4H2,1H3
InChIKeyBZYZNYQWMWVNJZ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.96
Rot. Bonds3

About [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

[5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782073) has the molecular formula C13H12F3NO2S and a molecular weight of 303.31 g/mol. Its IUPAC name is [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782073
Molecular FormulaC13H12F3NO2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC Name[5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1CC1c1ccc(C(O)c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C13H12F3NO2S/c1-6-4-7(6)8-2-3-9(19-8)11(18)10-5-17-12(20-10)13(14,15)16/h2-3,5-7,11,18H,4H2,1H3
InChIKeyBZYZNYQWMWVNJZ-UHFFFAOYSA-N
XLogP3.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782073) is [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC1CC1c1ccc(C(O)c2cnc(C(F)(F)F)s2)o1.
What is the InChIKey of [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BZYZNYQWMWVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S/c1-6-4-7(6)8-2-3-9(19-8)11(18)10-5-17-12(20-10)13(14,15)16/h2-3,5-7,11,18H,4H2,1H3.
What are the key properties of [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 303.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).