(5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C14H10F3NO2S — CID 106786543

IUPAC(5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc2oc(C(O)c3cnc(C(F)(F)F)s3)cc2c1
InChIInChI=1S/C14H10F3NO2S/c1-7-2-3-9-8(4-7)5-10(20-9)12(19)11-6-18-13(21-11)14(15,16)17/h2-6,12,19H,1H3
InChIKeyHRFHHCIZZDGBMM-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.30
Rot. Bonds2

About (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786543) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786543
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name(5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc2oc(C(O)c3cnc(C(F)(F)F)s3)cc2c1
InChIInChI=1S/C14H10F3NO2S/c1-7-2-3-9-8(4-7)5-10(20-9)12(19)11-6-18-13(21-11)14(15,16)17/h2-6,12,19H,1H3
InChIKeyHRFHHCIZZDGBMM-UHFFFAOYSA-N
XLogP4.30
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786543) is (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cc1ccc2oc(C(O)c3cnc(C(F)(F)F)s3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is HRFHHCIZZDGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c1-7-2-3-9-8(4-7)5-10(20-9)12(19)11-6-18-13(21-11)14(15,16)17/h2-6,12,19H,1H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 313.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).