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

C17H13FN4S2 — CID 58541701

IUPAC6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nc3sc(C)cn23)n1
InChIInChI=1S/C17H13FN4S2/c1-10-9-22-15(13-7-8-19-16(20-13)23-2)14(21-17(22)24-10)11-3-5-12(18)6-4-11/h3-9H,1-2H3
InChIKeyDJFYZJPDRFESDX-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.69
Rot. Bonds3

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

6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 58541701) has the molecular formula C17H13FN4S2 and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID58541701
Molecular FormulaC17H13FN4S2
Molecular Weight356.45 g/mol
Exact Mass356.06
IUPAC Name6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1nccc(-c2c(-c3ccc(F)cc3)nc3sc(C)cn23)n1
InChIInChI=1S/C17H13FN4S2/c1-10-9-22-15(13-7-8-19-16(20-13)23-2)14(21-17(22)24-10)11-3-5-12(18)6-4-11/h3-9H,1-2H3
InChIKeyDJFYZJPDRFESDX-UHFFFAOYSA-N
XLogP4.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole (CID 58541701) is 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is CSc1nccc(-c2c(-c3ccc(F)cc3)nc3sc(C)cn23)n1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is DJFYZJPDRFESDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S2/c1-10-9-22-15(13-7-8-19-16(20-13)23-2)14(21-17(22)24-10)11-3-5-12(18)6-4-11/h3-9H,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole?
6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 356.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 58541701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).