2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole

C21H20FNS — CID 162721182

IUPAC2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C21H20FNS/c1-21(2,3)17-9-4-15(5-10-17)6-13-20-23-19(14-24-20)16-7-11-18(22)12-8-16/h4-14H,1-3H3/b13-6+
InChIKeyQTXQIJGVQUKQAJ-AWNIVKPZSA-N
MW337.46 g/mol
LogP6.42
Rot. Bonds3

About 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole

2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 162721182) has the molecular formula C21H20FNS and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID162721182
Molecular FormulaC21H20FNS
Molecular Weight337.46 g/mol
Exact Mass337.13
IUPAC Name2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C21H20FNS/c1-21(2,3)17-9-4-15(5-10-17)6-13-20-23-19(14-24-20)16-7-11-18(22)12-8-16/h4-14H,1-3H3/b13-6+
InChIKeyQTXQIJGVQUKQAJ-AWNIVKPZSA-N
XLogP6.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-thiazole
CID 162721186
2-[(E)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethenyl]phenol;4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol;4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 158279125
3-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
CID 15477392
4-(4-chlorophenyl)-2-[2-(4-methylsulfanylphenyl)ethenyl]-1,3-thiazole
CID 3681008
4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-3,5-dimethyl-1,2-oxazole
CID 9118237
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
CID 6043812
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 6085608
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole
CID 175156571
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
CID 143246980

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 162721182) is 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is CC(C)(C)c1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is QTXQIJGVQUKQAJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C21H20FNS/c1-21(2,3)17-9-4-15(5-10-17)6-13-20-23-19(14-24-20)16-7-11-18(22)12-8-16/h4-14H,1-3H3/b13-6+.
What are the key properties of 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 337.46 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-tert-butylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 162721182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).