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

C20H17BrN4OS — CID 25107259

IUPAC4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Br)cc1-c1csc(Nc2ccc(-n3cnc(C)c3)cc2)n1
InChIInChI=1S/C20H17BrN4OS/c1-13-10-25(12-22-13)16-6-4-15(5-7-16)23-20-24-18(11-27-20)17-9-14(21)3-8-19(17)26-2/h3-12H,1-2H3,(H,23,24)
InChIKeyGDEPVUVIBMMPRS-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.82
Rot. Bonds5

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

4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 25107259) has the molecular formula C20H17BrN4OS and a molecular weight of 441.35 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID25107259
Molecular FormulaC20H17BrN4OS
Molecular Weight441.35 g/mol
Exact Mass440.03
IUPAC Name4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Br)cc1-c1csc(Nc2ccc(-n3cnc(C)c3)cc2)n1
InChIInChI=1S/C20H17BrN4OS/c1-13-10-25(12-22-13)16-6-4-15(5-7-16)23-20-24-18(11-27-20)17-9-14(21)3-8-19(17)26-2/h3-12H,1-2H3,(H,23,24)
InChIKeyGDEPVUVIBMMPRS-UHFFFAOYSA-N
XLogP5.82
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 25107259) is 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3cnc(C)c3)cc2)n1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is GDEPVUVIBMMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4OS/c1-13-10-25(12-22-13)16-6-4-15(5-7-16)23-20-24-18(11-27-20)17-9-14(21)3-8-19(17)26-2/h3-12H,1-2H3,(H,23,24).
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 441.35 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-N-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25107259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).