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

C18H16FNO2S2 — CID 22911810

IUPAC2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C18H16FNO2S2/c1-3-16-20-17(12-4-8-14(19)9-5-12)18(23-16)13-6-10-15(11-7-13)24(2,21)22/h4-11H,3H2,1-2H3
InChIKeyHNZGGCXVUAIRRY-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.58
Rot. Bonds4

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

2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22911810) has the molecular formula C18H16FNO2S2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22911810
Molecular FormulaC18H16FNO2S2
Molecular Weight361.46 g/mol
Exact Mass361.06
IUPAC Name2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C18H16FNO2S2/c1-3-16-20-17(12-4-8-14(19)9-5-12)18(23-16)13-6-10-15(11-7-13)24(2,21)22/h4-11H,3H2,1-2H3
InChIKeyHNZGGCXVUAIRRY-UHFFFAOYSA-N
XLogP4.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 22911810) is 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is CCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is HNZGGCXVUAIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S2/c1-3-16-20-17(12-4-8-14(19)9-5-12)18(23-16)13-6-10-15(11-7-13)24(2,21)22/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 361.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22911810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).