2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C11H8FN3S2 — CID 175799733

IUPAC2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCSc1ccc(-c2cnc3sc(F)nn23)cc1
InChIInChI=1S/C11H8FN3S2/c1-16-8-4-2-7(3-5-8)9-6-13-11-15(9)14-10(12)17-11/h2-6H,1H3
InChIKeyDHSBPBSIADBTOJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.32
Rot. Bonds2

About 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 175799733) has the molecular formula C11H8FN3S2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID175799733
Molecular FormulaC11H8FN3S2
Molecular Weight265.34 g/mol
Exact Mass265.01
IUPAC Name2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCSc1ccc(-c2cnc3sc(F)nn23)cc1
InChIInChI=1S/C11H8FN3S2/c1-16-8-4-2-7(3-5-8)9-6-13-11-15(9)14-10(12)17-11/h2-6H,1H3
InChIKeyDHSBPBSIADBTOJ-UHFFFAOYSA-N
XLogP3.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 175799733) is 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CSc1ccc(-c2cnc3sc(F)nn23)cc1.
What is the InChIKey of 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DHSBPBSIADBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S2/c1-16-8-4-2-7(3-5-8)9-6-13-11-15(9)14-10(12)17-11/h2-6H,1H3.
What are the key properties of 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 265.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 175799733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).