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

C17H14FNO2S2 — CID 10172237

IUPAC4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C17H14FNO2S2/c1-11-19-16(12-3-7-14(18)8-4-12)17(22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3
InChIKeyKVHPRFAHAAGVCW-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.33
Rot. Bonds3

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

4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 10172237) has the molecular formula C17H14FNO2S2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID10172237
Molecular FormulaC17H14FNO2S2
Molecular Weight347.44 g/mol
Exact Mass347.04
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C17H14FNO2S2/c1-11-19-16(12-3-7-14(18)8-4-12)17(22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3
InChIKeyKVHPRFAHAAGVCW-UHFFFAOYSA-N
XLogP4.33
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 10172237) is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole is Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is KVHPRFAHAAGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S2/c1-11-19-16(12-3-7-14(18)8-4-12)17(22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 347.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 10172237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).