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

C12H8F3NO2S — CID 106782410

IUPAC(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1cccc(C(=O)c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C12H8F3NO2S/c1-18-8-4-2-3-7(5-8)10(17)9-6-16-11(19-9)12(13,14)15/h2-6H,1H3
InChIKeyBEFVLRQKZQDXCI-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.40
Rot. Bonds3

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

(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782410) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782410
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCOc1cccc(C(=O)c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C12H8F3NO2S/c1-18-8-4-2-3-7(5-8)10(17)9-6-16-11(19-9)12(13,14)15/h2-6H,1H3
InChIKeyBEFVLRQKZQDXCI-UHFFFAOYSA-N
XLogP3.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
CID 57390973
N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide
CID 166314686
1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784642
3-(3-aminophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784783
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782410) is (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is COc1cccc(C(=O)c2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is BEFVLRQKZQDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c1-18-8-4-2-3-7(5-8)10(17)9-6-16-11(19-9)12(13,14)15/h2-6H,1H3.
What are the key properties of (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 287.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).