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

C20H15FN2S3 — CID 22912398

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole
SMILESCSc1ccc(-c2sc(-c3csc(C)n3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2S3/c1-12-22-17(11-25-12)20-23-18(13-3-7-15(21)8-4-13)19(26-20)14-5-9-16(24-2)10-6-14/h3-11H,1-2H3
InChIKeyDFAAWYVBUOSAIU-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.77
Rot. Bonds4

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

4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole (PubChem CID 22912398) has the molecular formula C20H15FN2S3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole
PubChem CID22912398
Molecular FormulaC20H15FN2S3
Molecular Weight398.55 g/mol
Exact Mass398.04
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole
SMILESCSc1ccc(-c2sc(-c3csc(C)n3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2S3/c1-12-22-17(11-25-12)20-23-18(13-3-7-15(21)8-4-13)19(26-20)14-5-9-16(24-2)10-6-14/h3-11H,1-2H3
InChIKeyDFAAWYVBUOSAIU-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
CID 54283901
4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
CID 142101432
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
5-(4-fluorophenyl)-2-methyl-4-(2-methylsulfanylphenyl)-1,3-thiazole
CID 67694221
2-[(3-chlorophenoxy)methyl]-4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,3-thiazole
CID 54273253
2-(2-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54183581
2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)thiophene
CID 142954591
4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 17389451
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966681
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole (CID 22912398) is 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole is CSc1ccc(-c2sc(-c3csc(C)n3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole?
The InChIKey is DFAAWYVBUOSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2S3/c1-12-22-17(11-25-12)20-23-18(13-3-7-15(21)8-4-13)19(26-20)14-5-9-16(24-2)10-6-14/h3-11H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole?
4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole has a molecular weight of 398.55 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 22912398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).