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

C10H6F3NO2S — CID 106784888

IUPAC(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C10H6F3NO2S/c1-5-2-3-6(16-5)8(15)7-4-14-9(17-7)10(11,12)13/h2-4H,1H3
InChIKeyBAGQFADKMCKQKC-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.29
Rot. Bonds2

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

(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784888) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784888
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C10H6F3NO2S/c1-5-2-3-6(16-5)8(15)7-4-14-9(17-7)10(11,12)13/h2-4H,1H3
InChIKeyBAGQFADKMCKQKC-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 (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784888) is (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1ccc(C(=O)c2cnc(C(F)(F)F)s2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is BAGQFADKMCKQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c1-5-2-3-6(16-5)8(15)7-4-14-9(17-7)10(11,12)13/h2-4H,1H3.
What are the key properties of (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(5-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 (5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).