4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole

C18H18FNS — CID 141072768

IUPAC4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole
SMILESCC(C1=CSCN1C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H18FNS/c1-13(18-11-21-12-20(18)2)15-8-9-16(17(19)10-15)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyIFPGIZUJVHSAIO-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.07
Rot. Bonds3

About 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole

4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole (PubChem CID 141072768) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole
PubChem CID141072768
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole
SMILESCC(C1=CSCN1C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H18FNS/c1-13(18-11-21-12-20(18)2)15-8-9-16(17(19)10-15)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyIFPGIZUJVHSAIO-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
6-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850654
5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole
CID 142039308
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene
CID 101447551
N-(4-fluorophenyl)-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 11246365
(2S)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 95242619
(2R)-2-(3-fluoro-4-phenylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 95242620
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 985824
(2R)-2-(3-fluoro-4-phenylphenyl)-6-piperidin-1-ylhexan-3-one
CID 167299178

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole?
The IUPAC name of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole (CID 141072768) is 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole?
The canonical SMILES for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole is CC(C1=CSCN1C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole?
The InChIKey is IFPGIZUJVHSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-13(18-11-21-12-20(18)2)15-8-9-16(17(19)10-15)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole?
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole has a molecular weight of 299.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 141072768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).