5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole

C14H16FNS2 — CID 141313942

IUPAC5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncsc1SC(C)c1ccccc1F
InChIInChI=1S/C14H16FNS2/c1-9(2)13-14(17-8-16-13)18-10(3)11-6-4-5-7-12(11)15/h4-10H,1-3H3
InChIKeyALQUQXFORMHSDW-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.26
Rot. Bonds4

About 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole

5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 141313942) has the molecular formula C14H16FNS2 and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole
PubChem CID141313942
Molecular FormulaC14H16FNS2
Molecular Weight281.42 g/mol
Exact Mass281.07
IUPAC Name5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncsc1SC(C)c1ccccc1F
InChIInChI=1S/C14H16FNS2/c1-9(2)13-14(17-8-16-13)18-10(3)11-6-4-5-7-12(11)15/h4-10H,1-3H3
InChIKeyALQUQXFORMHSDW-UHFFFAOYSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 133371906
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
3-bromo-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylpyridine
CID 100617547
5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole
CID 95275026
2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
CID 133343083
5-N-[1-(2-fluorophenyl)ethyl]-5-N-methyl-1,3-benzothiazole-4,5-diamine
CID 62978278
4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 76850460
2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95316732
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
5-methyl-4-propan-2-yl-1,3-thiazole
CID 45121704
[(2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105292443
tris(1,2-di(propan-2-yl)benzene);2,3-di(propan-2-yl)pyrazine;bis(2,3-di(propan-2-yl)pyridine);4,5-di(propan-2-yl)-1,3-thiazole;1-fluoro-2,3-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene)
CID 157133499

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole (CID 141313942) is 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1ncsc1SC(C)c1ccccc1F.
What is the InChIKey of 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is ALQUQXFORMHSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS2/c1-9(2)13-14(17-8-16-13)18-10(3)11-6-4-5-7-12(11)15/h4-10H,1-3H3.
What are the key properties of 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole?
5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 281.42 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)ethylsulfanyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 141313942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).