6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

C23H22BrN3S — CID 102310650

IUPAC6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESBrc1ccccc1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1
InChIInChI=1S/C23H22BrN3S/c24-19-14-8-7-13-18(19)21-22(25-17-11-5-2-6-12-17)27-20(15-28-23(27)26-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,25H,2,5-6,11-12H2
InChIKeyMPPLHYXRXBNCTB-UHFFFAOYSA-N
MW452.42 g/mol
LogP7.24
Rot. Bonds4

About 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 102310650) has the molecular formula C23H22BrN3S and a molecular weight of 452.42 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID102310650
Molecular FormulaC23H22BrN3S
Molecular Weight452.42 g/mol
Exact Mass451.07
IUPAC Name6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESBrc1ccccc1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1
InChIInChI=1S/C23H22BrN3S/c24-19-14-8-7-13-18(19)21-22(25-17-11-5-2-6-12-17)27-20(15-28-23(27)26-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,25H,2,5-6,11-12H2
InChIKeyMPPLHYXRXBNCTB-UHFFFAOYSA-N
XLogP7.24
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.42
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (CID 102310650) is 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is Brc1ccccc1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1.
What is the InChIKey of 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is MPPLHYXRXBNCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3S/c24-19-14-8-7-13-18(19)21-22(25-17-11-5-2-6-12-17)27-20(15-28-23(27)26-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,25H,2,5-6,11-12H2.
What are the key properties of 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 452.42 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-cyclohexyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 102310650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).