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

C24H16Cl2FN3S — CID 59579069

IUPAC6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(Cl)c1Nc1c(-c2ccc(F)cc2Cl)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C24H16Cl2FN3S/c1-14-6-5-9-18(25)21(14)28-23-22(17-11-10-16(27)12-19(17)26)29-24-30(23)20(13-31-24)15-7-3-2-4-8-15/h2-13,28H,1H3
InChIKeyFEUILTLWMHUMGX-UHFFFAOYSA-N
MW468.38 g/mol
LogP8.23
Rot. Bonds4

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

6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59579069) has the molecular formula C24H16Cl2FN3S and a molecular weight of 468.38 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59579069
Molecular FormulaC24H16Cl2FN3S
Molecular Weight468.38 g/mol
Exact Mass467.04
IUPAC Name6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1cccc(Cl)c1Nc1c(-c2ccc(F)cc2Cl)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C24H16Cl2FN3S/c1-14-6-5-9-18(25)21(14)28-23-22(17-11-10-16(27)12-19(17)26)29-24-30(23)20(13-31-24)15-7-3-2-4-8-15/h2-13,28H,1H3
InChIKeyFEUILTLWMHUMGX-UHFFFAOYSA-N
XLogP8.23
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59579069) is 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1cccc(Cl)c1Nc1c(-c2ccc(F)cc2Cl)nc2scc(-c3ccccc3)n12.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is FEUILTLWMHUMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FN3S/c1-14-6-5-9-18(25)21(14)28-23-22(17-11-10-16(27)12-19(17)26)29-24-30(23)20(13-31-24)15-7-3-2-4-8-15/h2-13,28H,1H3.
What are the key properties of 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 468.38 g/mol, XLogP of 8.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59579069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).