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

C14H10F3NO2S — CID 106782240

IUPAC(2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1oc2ccccc2c1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3NO2S/c1-7-11(8-4-2-3-5-9(8)20-7)12(19)10-6-18-13(21-10)14(15,16)17/h2-6,12,19H,1H3
InChIKeyDVZRCEWWGYFFQQ-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.30
Rot. Bonds2

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

(2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782240) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782240
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name(2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1oc2ccccc2c1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3NO2S/c1-7-11(8-4-2-3-5-9(8)20-7)12(19)10-6-18-13(21-10)14(15,16)17/h2-6,12,19H,1H3
InChIKeyDVZRCEWWGYFFQQ-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 (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782240) is (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cc1oc2ccccc2c1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is DVZRCEWWGYFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c1-7-11(8-4-2-3-5-9(8)20-7)12(19)10-6-18-13(21-10)14(15,16)17/h2-6,12,19H,1H3.
What are the key properties of (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(2-methyl-1-benzofuran-3-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 (2-methyl-1-benzofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).