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

C26H38N2OS — CID 70110562

IUPAC2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCc1cn2cc(-c3ccc(OCCCCCCC)cc3)sc2n1
InChIInChI=1S/C26H38N2OS/c1-3-5-7-9-10-12-14-23-20-28-21-25(30-26(28)27-23)22-15-17-24(18-16-22)29-19-13-11-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3
InChIKeyKADWKTJITADBGO-UHFFFAOYSA-N
MW426.67 g/mol
LogP8.31
Rot. Bonds15

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

2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole (PubChem CID 70110562) has the molecular formula C26H38N2OS and a molecular weight of 426.67 g/mol. Its IUPAC name is 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
PubChem CID70110562
Molecular FormulaC26H38N2OS
Molecular Weight426.67 g/mol
Exact Mass426.27
IUPAC Name2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCc1cn2cc(-c3ccc(OCCCCCCC)cc3)sc2n1
InChIInChI=1S/C26H38N2OS/c1-3-5-7-9-10-12-14-23-20-28-21-25(30-26(28)27-23)22-15-17-24(18-16-22)29-19-13-11-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3
InChIKeyKADWKTJITADBGO-UHFFFAOYSA-N
XLogP8.31
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-heptoxyphenyl)-6-nonylimidazo[2,1-b][1,3]thiazole
CID 70111731
6-nonyl-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
CID 70108159
2-(4-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
CID 70110019
2-(4-octoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 67640573
2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111058
[(2R)-octan-2-yl] 4-(6-heptylimidazo[2,1-b][1,3]thiazol-2-yl)benzoate
CID 139762322
2-heptyl-6-(4-oct-7-enoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111385
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
CID 160836009
2-(4-hexoxyphenyl)-4-hexylpyrimidine
CID 70349513
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole (CID 70110562) is 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole is CCCCCCCCc1cn2cc(-c3ccc(OCCCCCCC)cc3)sc2n1.
What is the InChIKey of 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
The InChIKey is KADWKTJITADBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2OS/c1-3-5-7-9-10-12-14-23-20-28-21-25(30-26(28)27-23)22-15-17-24(18-16-22)29-19-13-11-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3.
What are the key properties of 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole?
2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole has a molecular weight of 426.67 g/mol, XLogP of 8.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70110562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).