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

C11H12F3NO2S — CID 106782601

IUPAC(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1(C(=O)c2cnc(C(F)(F)F)s2)CCCCO1
InChIInChI=1S/C11H12F3NO2S/c1-10(4-2-3-5-17-10)8(16)7-6-15-9(18-7)11(12,13)14/h6H,2-5H2,1H3
InChIKeySMFDPVQVDVXWQQ-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.30
Rot. Bonds2

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

(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782601) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782601
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1(C(=O)c2cnc(C(F)(F)F)s2)CCCCO1
InChIInChI=1S/C11H12F3NO2S/c1-10(4-2-3-5-17-10)8(16)7-6-15-9(18-7)11(12,13)14/h6H,2-5H2,1H3
InChIKeySMFDPVQVDVXWQQ-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
Oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782517
Oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782519
Oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782520
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782578
1,4-Oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782584
(2-Methyloxolan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782587
2-(Oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782629
(1-Methoxycyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782635
(1-Methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782640
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782641

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782601) is (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC1(C(=O)c2cnc(C(F)(F)F)s2)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is SMFDPVQVDVXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c1-10(4-2-3-5-17-10)8(16)7-6-15-9(18-7)11(12,13)14/h6H,2-5H2,1H3.
What are the key properties of (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 279.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).