2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole

C26H38N2S — CID 70110019

IUPAC2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCc1cn2cc(-c3ccc(CCCCCCC)cc3)sc2n1
InChIInChI=1S/C26H38N2S/c1-3-5-7-9-11-13-15-24-20-28-21-25(29-26(28)27-24)23-18-16-22(17-19-23)14-12-10-8-6-4-2/h16-21H,3-15H2,1-2H3
InChIKeyZXEPMRBMZMCIAN-UHFFFAOYSA-N
MW410.67 g/mol
LogP8.48
Rot. Bonds14

About 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole

2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole (PubChem CID 70110019) has the molecular formula C26H38N2S and a molecular weight of 410.67 g/mol. Its IUPAC name is 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
PubChem CID70110019
Molecular FormulaC26H38N2S
Molecular Weight410.67 g/mol
Exact Mass410.28
IUPAC Name2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCc1cn2cc(-c3ccc(CCCCCCC)cc3)sc2n1
InChIInChI=1S/C26H38N2S/c1-3-5-7-9-11-13-15-24-20-28-21-25(29-26(28)27-24)23-18-16-22(17-19-23)14-12-10-8-6-4-2/h16-21H,3-15H2,1-2H3
InChIKeyZXEPMRBMZMCIAN-UHFFFAOYSA-N
XLogP8.48
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
CID 70108159
2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
CID 70110562
2-(4-heptoxyphenyl)-6-nonylimidazo[2,1-b][1,3]thiazole
CID 70111731
2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
CID 160836009
[(2R)-octan-2-yl] 4-(6-heptylimidazo[2,1-b][1,3]thiazol-2-yl)benzoate
CID 139762322
6-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 102626023
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
2-(4-butylphenyl)-5-(4-heptylphenyl)-1,3,4-thiadiazole
CID 101033956

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole (CID 70110019) is 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole is CCCCCCCCc1cn2cc(-c3ccc(CCCCCCC)cc3)sc2n1.
What is the InChIKey of 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZXEPMRBMZMCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2S/c1-3-5-7-9-11-13-15-24-20-28-21-25(29-26(28)27-24)23-18-16-22(17-19-23)14-12-10-8-6-4-2/h16-21H,3-15H2,1-2H3.
What are the key properties of 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole has a molecular weight of 410.67 g/mol, XLogP of 8.48, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70110019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).