ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole

C14H14FN3S — CID 142178675

IUPACethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESCC.Fc1ccc(-c2ncc(-c3nccs3)[nH]2)cc1
InChIInChI=1S/C12H8FN3S.C2H6/c13-9-3-1-8(2-4-9)11-15-7-10(16-11)12-14-5-6-17-12;1-2/h1-7H,(H,15,16);1-2H3
InChIKeyYQLFVGJIJISAGS-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.37
Rot. Bonds2

About ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole

ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 142178675) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID142178675
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Nameethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESCC.Fc1ccc(-c2ncc(-c3nccs3)[nH]2)cc1
InChIInChI=1S/C12H8FN3S.C2H6/c13-9-3-1-8(2-4-9)11-15-7-10(16-11)12-14-5-6-17-12;1-2/h1-7H,(H,15,16);1-2H3
InChIKeyYQLFVGJIJISAGS-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-2-thiophen-2-yl-1H-imidazole
CID 99963188
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
CID 174768764
ethane;2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 144537709
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865
2-(5-fluoro-3-pyridinyl)-1,3-thiazole
CID 66633860
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
CID 70667347
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
CID 116877873

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole (CID 142178675) is ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole is CC.Fc1ccc(-c2ncc(-c3nccs3)[nH]2)cc1.
What is the InChIKey of ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is YQLFVGJIJISAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S.C2H6/c13-9-3-1-8(2-4-9)11-15-7-10(16-11)12-14-5-6-17-12;1-2/h1-7H,(H,15,16);1-2H3.
What are the key properties of ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole?
ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 275.35 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 142178675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).