6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole

C16H11FN4S2 — CID 58541696

IUPAC6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C16H11FN4S2/c1-22-15-18-7-6-12(19-15)14-13(10-2-4-11(17)5-3-10)20-16-21(14)8-9-23-16/h2-9H,1H3
InChIKeyUFWDRFPGWMRPLH-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.38
Rot. Bonds3

About 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole

6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 58541696) has the molecular formula C16H11FN4S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID58541696
Molecular FormulaC16H11FN4S2
Molecular Weight342.42 g/mol
Exact Mass342.04
IUPAC Name6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C16H11FN4S2/c1-22-15-18-7-6-12(19-15)14-13(10-2-4-11(17)5-3-10)20-16-21(14)8-9-23-16/h2-9H,1H3
InChIKeyUFWDRFPGWMRPLH-UHFFFAOYSA-N
XLogP4.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (CID 58541696) is 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is CSc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is UFWDRFPGWMRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S2/c1-22-15-18-7-6-12(19-15)14-13(10-2-4-11(17)5-3-10)20-16-21(14)8-9-23-16/h2-9H,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 342.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 58541696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).