(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H6F3NO2S — CID 106782637

IUPAC(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1ccoc1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H6F3NO2S/c1-5-2-3-16-8(5)7(15)6-4-14-9(17-6)10(11,12)13/h2-4H,1H3
InChIKeyFGPJYDUADKXHOB-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.29
Rot. Bonds2

About (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782637) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782637
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1ccoc1C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H6F3NO2S/c1-5-2-3-16-8(5)7(15)6-4-14-9(17-6)10(11,12)13/h2-4H,1H3
InChIKeyFGPJYDUADKXHOB-UHFFFAOYSA-N
XLogP3.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782637) is (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1ccoc1C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is FGPJYDUADKXHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c1-5-2-3-16-8(5)7(15)6-4-14-9(17-6)10(11,12)13/h2-4H,1H3.
What are the key properties of (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 261.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).