3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole

C19H15BrN2S — CID 1180418

IUPAC3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCCc1sc2nc(-c3ccccc3)cn2c1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2S/c1-2-17-18(14-8-10-15(20)11-9-14)22-12-16(21-19(22)23-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyOOQHPEYSLALUNK-UHFFFAOYSA-N
MW383.31 g/mol
LogP6.05
Rot. Bonds3

About 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole

3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 1180418) has the molecular formula C19H15BrN2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID1180418
Molecular FormulaC19H15BrN2S
Molecular Weight383.31 g/mol
Exact Mass382.01
IUPAC Name3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCCc1sc2nc(-c3ccccc3)cn2c1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2S/c1-2-17-18(14-8-10-15(20)11-9-14)22-12-16(21-19(22)23-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyOOQHPEYSLALUNK-UHFFFAOYSA-N
XLogP6.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.31
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole (CID 1180418) is 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole is CCc1sc2nc(-c3ccccc3)cn2c1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is OOQHPEYSLALUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2S/c1-2-17-18(14-8-10-15(20)11-9-14)22-12-16(21-19(22)23-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole?
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 383.31 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1180418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).