5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole

C17H14FNS2 — CID 67694221

IUPAC5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccccc1-c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H14FNS2/c1-11-19-16(14-5-3-4-6-15(14)20-2)17(21-11)12-7-9-13(18)10-8-12/h3-10H,1-2H3
InChIKeyMALLYGSYVJCGJM-UHFFFAOYSA-N
MW315.44 g/mol
LogP5.65
Rot. Bonds3

About 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole

5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole (PubChem CID 67694221) has the molecular formula C17H14FNS2 and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole
PubChem CID67694221
Molecular FormulaC17H14FNS2
Molecular Weight315.44 g/mol
Exact Mass315.06
IUPAC Name5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccccc1-c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H14FNS2/c1-11-19-16(14-5-3-4-6-15(14)20-2)17(21-11)12-7-9-13(18)10-8-12/h3-10H,1-2H3
InChIKeyMALLYGSYVJCGJM-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole (CID 67694221) is 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole is CSc1ccccc1-c1nc(C)sc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole?
The InChIKey is MALLYGSYVJCGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNS2/c1-11-19-16(14-5-3-4-6-15(14)20-2)17(21-11)12-7-9-13(18)10-8-12/h3-10H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole?
5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole has a molecular weight of 315.44 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole is sourced from PubChem (CID 67694221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).