6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

C24H17F2N3OS — CID 59578848

IUPAC6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(-c3ccccc3)n2c1Nc1ccc(F)cc1
InChIInChI=1S/C24H17F2N3OS/c1-30-20-9-5-8-18(26)21(20)22-23(27-17-12-10-16(25)11-13-17)29-19(14-31-24(29)28-22)15-6-3-2-4-7-15/h2-14,27H,1H3
InChIKeyWTSZJOFQCIKVNY-UHFFFAOYSA-N
MW433.48 g/mol
LogP6.76
Rot. Bonds5

About 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59578848) has the molecular formula C24H17F2N3OS and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59578848
Molecular FormulaC24H17F2N3OS
Molecular Weight433.48 g/mol
Exact Mass433.11
IUPAC Name6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(-c3ccccc3)n2c1Nc1ccc(F)cc1
InChIInChI=1S/C24H17F2N3OS/c1-30-20-9-5-8-18(26)21(20)22-23(27-17-12-10-16(25)11-13-17)29-19(14-31-24(29)28-22)15-6-3-2-4-7-15/h2-14,27H,1H3
InChIKeyWTSZJOFQCIKVNY-UHFFFAOYSA-N
XLogP6.76
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59578848) is 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is COc1cccc(F)c1-c1nc2scc(-c3ccccc3)n2c1Nc1ccc(F)cc1.
What is the InChIKey of 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is WTSZJOFQCIKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3OS/c1-30-20-9-5-8-18(26)21(20)22-23(27-17-12-10-16(25)11-13-17)29-19(14-31-24(29)28-22)15-6-3-2-4-7-15/h2-14,27H,1H3.
What are the key properties of 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 433.48 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59578848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).