4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine

C22H21FN4S — CID 166631164

IUPAC4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4cc(C)c(C)cc4C)n3)cc2F)cn1
InChIInChI=1S/C22H21FN4S/c1-13-7-15(3)19(8-14(13)2)25-22-26-20(11-28-22)17-5-6-21(18(23)9-17)27-10-16(4)24-12-27/h5-12H,1-4H3,(H,25,26)
InChIKeyXOWSLZXUMSYFQM-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.11
Rot. Bonds4

About 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine

4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 166631164) has the molecular formula C22H21FN4S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID166631164
Molecular FormulaC22H21FN4S
Molecular Weight392.50 g/mol
Exact Mass392.15
IUPAC Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4cc(C)c(C)cc4C)n3)cc2F)cn1
InChIInChI=1S/C22H21FN4S/c1-13-7-15(3)19(8-14(13)2)25-22-26-20(11-28-22)17-5-6-21(18(23)9-17)27-10-16(4)24-12-27/h5-12H,1-4H3,(H,25,26)
InChIKeyXOWSLZXUMSYFQM-UHFFFAOYSA-N
XLogP6.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine (CID 166631164) is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(Nc4cc(C)c(C)cc4C)n3)cc2F)cn1.
What is the InChIKey of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is XOWSLZXUMSYFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4S/c1-13-7-15(3)19(8-14(13)2)25-22-26-20(11-28-22)17-5-6-21(18(23)9-17)27-10-16(4)24-12-27/h5-12H,1-4H3,(H,25,26).
What are the key properties of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine?
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 392.50 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166631164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).