3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

C11H10F3NO2S — CID 106786561

IUPAC3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESOC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)10-15-6-9(18-10)8(16)4-3-7-2-1-5-17-7/h1-2,5-6,8,16H,3-4H2
InChIKeyAZURVJWXAYRTBO-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.42
Rot. Bonds4

About 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106786561) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106786561
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESOC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H10F3NO2S/c12-11(13,14)10-15-6-9(18-10)8(16)4-3-7-2-1-5-17-7/h1-2,5-6,8,16H,3-4H2
InChIKeyAZURVJWXAYRTBO-UHFFFAOYSA-N
XLogP3.42
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782025
Furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782031
[5-(2-Methylcyclopropyl)furan-2-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782073
Furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782086
1-Benzofuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782239
(2-Methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782240
Furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782471
(2-Methylfuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782882
3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785127
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785696
N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785710
(5-Chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786513

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106786561) is 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is OC(CCc1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is AZURVJWXAYRTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c12-11(13,14)10-15-6-9(18-10)8(16)4-3-7-2-1-5-17-7/h1-2,5-6,8,16H,3-4H2.
What are the key properties of 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 277.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106786561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).