(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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Related Compounds

(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
CID 132560330
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate
CID 126087414
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone
CID 11003494
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
3-(4-hydroxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid;3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxylic acid
CID 159115802
3-[3,5-difluoro-4-[[3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoic acid
CID 90418333
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
methyl 5-bromo-3-phenyl-1,2-thiazole-4-carboxylate
CID 121006068

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).