6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole

C27H38F2N2S — CID 70109561

IUPAC6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCc1ccc(-c2cn3cc(CCCCCCC)sc3n2)c(F)c1F
InChIInChI=1S/C27H38F2N2S/c1-3-5-7-9-10-12-13-15-21-17-18-23(26(29)25(21)28)24-20-31-19-22(32-27(31)30-24)16-14-11-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyDZTONICWPYWFLW-UHFFFAOYSA-N
MW460.68 g/mol
LogP9.15
Rot. Bonds15

About 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole

6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole (PubChem CID 70109561) has the molecular formula C27H38F2N2S and a molecular weight of 460.68 g/mol. Its IUPAC name is 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole
PubChem CID70109561
Molecular FormulaC27H38F2N2S
Molecular Weight460.68 g/mol
Exact Mass460.27
IUPAC Name6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCc1ccc(-c2cn3cc(CCCCCCC)sc3n2)c(F)c1F
InChIInChI=1S/C27H38F2N2S/c1-3-5-7-9-10-12-13-15-21-17-18-23(26(29)25(21)28)24-20-31-19-22(32-27(31)30-24)16-14-11-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKeyDZTONICWPYWFLW-UHFFFAOYSA-N
XLogP9.15
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.68
LogP ≤ 59.15
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-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
6-[2-fluoro-4-[(2S)-octan-2-yl]oxyphenyl]-2-octylimidazo[2,1-b][1,3]thiazole
CID 22940562
2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111058
2-heptyl-6-(4-oct-7-enoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111385
6-cyclohexa-1,3-dien-1-yl-2-hexylimidazo[2,1-b][1,3]thiazole
CID 67743170
2-propyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazole
CID 10658216
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2-(4-decyl-2,3-difluorophenyl)-5-(5-fluorohexyl)pyrimidine
CID 21197036
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
2-[4-(4-butyl-2,3-difluorophenyl)phenyl]-5-heptylpyrimidine
CID 19103459
1,8-difluoro-2-heptyl-7-hexyl-9,10-dihydrophenanthrene
CID 174389855

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole (CID 70109561) is 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole is CCCCCCCCCc1ccc(-c2cn3cc(CCCCCCC)sc3n2)c(F)c1F.
What is the InChIKey of 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole?
The InChIKey is DZTONICWPYWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F2N2S/c1-3-5-7-9-10-12-13-15-21-17-18-23(26(29)25(21)28)24-20-31-19-22(32-27(31)30-24)16-14-11-8-6-4-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole?
6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole has a molecular weight of 460.68 g/mol, XLogP of 9.15, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70109561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).