4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C15H14F3NOS — CID 142066192

IUPAC4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESC=C(OCC)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C
InChIInChI=1S/C15H14F3NOS/c1-4-20-9(2)13-10(3)21-14(19-13)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2,4H2,1,3H3
InChIKeyODZPNZXQYSHKFN-UHFFFAOYSA-N
MW313.34 g/mol
LogP5.14
Rot. Bonds4

About 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 142066192) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID142066192
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESC=C(OCC)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C
InChIInChI=1S/C15H14F3NOS/c1-4-20-9(2)13-10(3)21-14(19-13)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2,4H2,1,3H3
InChIKeyODZPNZXQYSHKFN-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 58934113
2-methyl-2-[4-[[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 10116561
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
5-methyl-4-(2H-triazol-4-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 151982115
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 142066192) is 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is C=C(OCC)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C.
What is the InChIKey of 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is ODZPNZXQYSHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-4-20-9(2)13-10(3)21-14(19-13)11-5-7-12(8-6-11)15(16,17)18/h5-8H,2,4H2,1,3H3.
What are the key properties of 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 313.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 142066192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).