6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole

C29H44N2S — CID 70108159

IUPAC6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCc1ccc(-c2cn3cc(CCCCCCCCC)nc3s2)cc1
InChIInChI=1S/C29H44N2S/c1-3-5-7-9-11-13-15-17-25-19-21-26(22-20-25)28-24-31-23-27(30-29(31)32-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyLHZLEWLWAZQAQR-UHFFFAOYSA-N
MW452.75 g/mol
LogP9.65
Rot. Bonds17

About 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole

6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 70108159) has the molecular formula C29H44N2S and a molecular weight of 452.75 g/mol. Its IUPAC name is 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID70108159
Molecular FormulaC29H44N2S
Molecular Weight452.75 g/mol
Exact Mass452.32
IUPAC Name6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCc1ccc(-c2cn3cc(CCCCCCCCC)nc3s2)cc1
InChIInChI=1S/C29H44N2S/c1-3-5-7-9-11-13-15-17-25-19-21-26(22-20-25)28-24-31-23-27(30-29(31)32-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyLHZLEWLWAZQAQR-UHFFFAOYSA-N
XLogP9.65
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.75
LogP ≤ 59.65
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

2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
CID 70110019
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 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole (CID 70108159) is 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole is CCCCCCCCCc1ccc(-c2cn3cc(CCCCCCCCC)nc3s2)cc1.
What is the InChIKey of 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is LHZLEWLWAZQAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2S/c1-3-5-7-9-11-13-15-17-25-19-21-26(22-20-25)28-24-31-23-27(30-29(31)32-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3.
What are the key properties of 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 452.75 g/mol, XLogP of 9.65, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70108159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).