2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole

C12H12FNS2 — CID 112786550

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNS2/c1-8-7-15-12(14-8)16-9(2)10-3-5-11(13)6-4-10/h3-7,9H,1-2H3
InChIKeyHCYDKAOHNHDYKX-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.44
Rot. Bonds3

About 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole

2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole (PubChem CID 112786550) has the molecular formula C12H12FNS2 and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
PubChem CID112786550
Molecular FormulaC12H12FNS2
Molecular Weight253.37 g/mol
Exact Mass253.04
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNS2/c1-8-7-15-12(14-8)16-9(2)10-3-5-11(13)6-4-10/h3-7,9H,1-2H3
InChIKeyHCYDKAOHNHDYKX-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]aniline
CID 61261675
(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40790129
1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 78815982
N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 64647840
[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289440
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 115742698
N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47155489
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine
CID 55018625
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole (CID 112786550) is 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole is Cc1csc(SC(C)c2ccc(F)cc2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is HCYDKAOHNHDYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS2/c1-8-7-15-12(14-8)16-9(2)10-3-5-11(13)6-4-10/h3-7,9H,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole?
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 253.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 112786550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).