2-ethylsulfanyl-4-fluoro-1,3-thiazole

C5H6FNS2 — CID 91210268

IUPAC2-ethylsulfanyl-4-fluoro-1,3-thiazole
SMILESCCSc1nc(F)cs1
InChIInChI=1S/C5H6FNS2/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyYGZJDXNDNCHEFX-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.39
Rot. Bonds2

About 2-ethylsulfanyl-4-fluoro-1,3-thiazole

2-ethylsulfanyl-4-fluoro-1,3-thiazole (PubChem CID 91210268) has the molecular formula C5H6FNS2 and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-fluoro-1,3-thiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-4-fluoro-1,3-thiazole
PubChem CID91210268
Molecular FormulaC5H6FNS2
Molecular Weight163.24 g/mol
Exact Mass162.99
IUPAC Name2-ethylsulfanyl-4-fluoro-1,3-thiazole
SMILESCCSc1nc(F)cs1
InChIInChI=1S/C5H6FNS2/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3
InChIKeyYGZJDXNDNCHEFX-UHFFFAOYSA-N
XLogP2.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-fluoro-1,3-thiazole?
The IUPAC name of 2-ethylsulfanyl-4-fluoro-1,3-thiazole (CID 91210268) is 2-ethylsulfanyl-4-fluoro-1,3-thiazole.
What is the SMILES notation for 2-ethylsulfanyl-4-fluoro-1,3-thiazole?
The canonical SMILES for 2-ethylsulfanyl-4-fluoro-1,3-thiazole is CCSc1nc(F)cs1.
What is the InChIKey of 2-ethylsulfanyl-4-fluoro-1,3-thiazole?
The InChIKey is YGZJDXNDNCHEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNS2/c1-2-8-5-7-4(6)3-9-5/h3H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4-fluoro-1,3-thiazole?
2-ethylsulfanyl-4-fluoro-1,3-thiazole has a molecular weight of 163.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-fluoro-1,3-thiazole is sourced from PubChem (CID 91210268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).