5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole

C7H6FN3O2S2 — CID 158737073

IUPAC5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1ncc(F)s1)n1ccnc1
InChIInChI=1S/C7H6FN3O2S2/c8-6-3-10-7(14-6)4-15(12,13)11-2-1-9-5-11/h1-3,5H,4H2
InChIKeyNMYCEONFYRIOMC-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.86
Rot. Bonds3

About 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole

5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 158737073) has the molecular formula C7H6FN3O2S2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole
PubChem CID158737073
Molecular FormulaC7H6FN3O2S2
Molecular Weight247.28 g/mol
Exact Mass246.99
IUPAC Name5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1ncc(F)s1)n1ccnc1
InChIInChI=1S/C7H6FN3O2S2/c8-6-3-10-7(14-6)4-15(12,13)11-2-1-9-5-11/h1-3,5H,4H2
InChIKeyNMYCEONFYRIOMC-UHFFFAOYSA-N
XLogP0.86
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole (CID 158737073) is 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1ncc(F)s1)n1ccnc1.
What is the InChIKey of 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is NMYCEONFYRIOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2S2/c8-6-3-10-7(14-6)4-15(12,13)11-2-1-9-5-11/h1-3,5H,4H2.
What are the key properties of 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole?
5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 247.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(imidazol-1-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 158737073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).