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

C20H26N2S — CID 160836009

IUPAC2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCc1ccc(-c2cn3ccnc3s2)cc1
InChIInChI=1S/C20H26N2S/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)19-16-22-15-14-21-20(22)23-19/h10-16H,2-9H2,1H3
InChIKeySHKOAJLZFDIOFZ-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.36
Rot. Bonds9

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

2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 160836009) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID160836009
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Name2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCc1ccc(-c2cn3ccnc3s2)cc1
InChIInChI=1S/C20H26N2S/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)19-16-22-15-14-21-20(22)23-19/h10-16H,2-9H2,1H3
InChIKeySHKOAJLZFDIOFZ-UHFFFAOYSA-N
XLogP6.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.36
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-heptylphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
CID 70110019
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
6-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
2-(4-heptoxyphenyl)-6-nonylimidazo[2,1-b][1,3]thiazole
CID 70111731
2-(4-heptoxyphenyl)-6-octylimidazo[2,1-b][1,3]thiazole
CID 70110562
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
2-(4-butylphenyl)-5-(4-heptylphenyl)-1,3,4-thiadiazole
CID 101033956
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenol
CID 23354762
2-(4-hexylphenyl)-5-(4-propylphenyl)-1,3,4-thiadiazole
CID 54340876

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole (CID 160836009) is 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole is CCCCCCCCCc1ccc(-c2cn3ccnc3s2)cc1.
What is the InChIKey of 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is SHKOAJLZFDIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)19-16-22-15-14-21-20(22)23-19/h10-16H,2-9H2,1H3.
What are the key properties of 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole?
2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 326.51 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 160836009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).