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

C10H10F3NO2S — CID 106782640

IUPAC(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCOC1(C(=O)c2cnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C10H10F3NO2S/c1-16-9(3-2-4-9)7(15)6-5-14-8(17-6)10(11,12)13/h5H,2-4H2,1H3
InChIKeyPJSOOGQPSFKZFL-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.91
Rot. Bonds3

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

(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782640) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782640
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCOC1(C(=O)c2cnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C10H10F3NO2S/c1-16-9(3-2-4-9)7(15)6-5-14-8(17-6)10(11,12)13/h5H,2-4H2,1H3
InChIKeyPJSOOGQPSFKZFL-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
Cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
4-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106782453
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782491
3,3-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782493
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
Cyclobutyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782505
Oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782517
(2-Methylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782537
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782640) is (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is COC1(C(=O)c2cnc(C(F)(F)F)s2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is PJSOOGQPSFKZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-16-9(3-2-4-9)7(15)6-5-14-8(17-6)10(11,12)13/h5H,2-4H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).