(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone

C18H12F3NO2S — CID 162692086

IUPAC(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)nsc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO2S/c1-24-13-9-7-12(8-10-13)16(23)14-15(11-5-3-2-4-6-11)22-25-17(14)18(19,20)21/h2-10H,1H3
InChIKeyQLHLHXAUDRDAGR-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.07
Rot. Bonds4

About (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone

(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone (PubChem CID 162692086) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
PubChem CID162692086
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)nsc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F3NO2S/c1-24-13-9-7-12(8-10-13)16(23)14-15(11-5-3-2-4-6-11)22-25-17(14)18(19,20)21/h2-10H,1H3
InChIKeyQLHLHXAUDRDAGR-UHFFFAOYSA-N
XLogP5.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone (CID 162692086) is (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone is COc1ccc(C(=O)c2c(-c3ccccc3)nsc2C(F)(F)F)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone?
The InChIKey is QLHLHXAUDRDAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c1-24-13-9-7-12(8-10-13)16(23)14-15(11-5-3-2-4-6-11)22-25-17(14)18(19,20)21/h2-10H,1H3.
What are the key properties of (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone?
(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone has a molecular weight of 363.36 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 162692086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).