2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole

C15H9FN2O2S4 — CID 86242081

IUPAC2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H9FN2O2S4/c16-13(10-8-22-14(17-10)12-6-3-7-21-12)24(19,20)15-18-9-4-1-2-5-11(9)23-15/h1-8,13H
InChIKeyBSZDLWQOPNFXGY-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.92
Rot. Bonds4

About 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole

2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole (PubChem CID 86242081) has the molecular formula C15H9FN2O2S4 and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole
PubChem CID86242081
Molecular FormulaC15H9FN2O2S4
Molecular Weight396.52 g/mol
Exact Mass395.95
IUPAC Name2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H9FN2O2S4/c16-13(10-8-22-14(17-10)12-6-3-7-21-12)24(19,20)15-18-9-4-1-2-5-11(9)23-15/h1-8,13H
InChIKeyBSZDLWQOPNFXGY-UHFFFAOYSA-N
XLogP4.92
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole?
The IUPAC name of 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole (CID 86242081) is 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole.
What is the SMILES notation for 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole?
The canonical SMILES for 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole is O=S(=O)(c1nc2ccccc2s1)C(F)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole?
The InChIKey is BSZDLWQOPNFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S4/c16-13(10-8-22-14(17-10)12-6-3-7-21-12)24(19,20)15-18-9-4-1-2-5-11(9)23-15/h1-8,13H.
What are the key properties of 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole?
2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole has a molecular weight of 396.52 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole is sourced from PubChem (CID 86242081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).