5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole

C18H16FNO2S2 — CID 139194512

IUPAC5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)Cc2nc(C)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO2S2/c1-12-3-9-16(10-4-12)24(21,22)11-17-18(23-13(2)20-17)14-5-7-15(19)8-6-14/h3-10H,11H2,1-2H3
InChIKeyZUVLRGXASHBXNL-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.54
Rot. Bonds4

About 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole

5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole (PubChem CID 139194512) has the molecular formula C18H16FNO2S2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
PubChem CID139194512
Molecular FormulaC18H16FNO2S2
Molecular Weight361.46 g/mol
Exact Mass361.06
IUPAC Name5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)Cc2nc(C)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO2S2/c1-12-3-9-16(10-4-12)24(21,22)11-17-18(23-13(2)20-17)14-5-7-15(19)8-6-14/h3-10H,11H2,1-2H3
InChIKeyZUVLRGXASHBXNL-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
4-(2-Methyl-4-phenyl-thiazol-5-yl)-benzenesulfonamide
CID 10019555
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-2-methyl-thiazole
CID 10154719
2-(Trifluoromethyl)-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]thiazole
CID 10157862
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-methylthiazole
CID 10172237
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-yl-thiazole
CID 10273329
2-(Trifluoromethyl)-4-[4-(methylsulfonyl)phenyl]-5-(4-fluorophenyl)thiazole
CID 10294458
4-(2-Methyl-5-phenyl-thiazol-4-yl)-benzenesulfonamide
CID 17816357
2-tert-Butyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911749
[4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazol-2-yl]-acetonitrile
CID 22911767
2-Ethyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911810
2-Benzyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22912028

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole (CID 139194512) is 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole is Cc1ccc(S(=O)(=O)Cc2nc(C)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is ZUVLRGXASHBXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S2/c1-12-3-9-16(10-4-12)24(21,22)11-17-18(23-13(2)20-17)14-5-7-15(19)8-6-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole?
5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 361.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 139194512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).