2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole

C27H40N2OS — CID 70111058

IUPAC2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCOc1ccc(-c2cn3cc(CCCCCCC)sc3n2)cc1
InChIInChI=1S/C27H40N2OS/c1-3-5-7-9-10-12-14-20-30-24-18-16-23(17-19-24)26-22-29-21-25(31-27(29)28-26)15-13-11-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3
InChIKeyHEWOCTJNDZTCKQ-UHFFFAOYSA-N
MW440.70 g/mol
LogP8.71
Rot. Bonds16

About 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole

2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 70111058) has the molecular formula C27H40N2OS and a molecular weight of 440.70 g/mol. Its IUPAC name is 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID70111058
Molecular FormulaC27H40N2OS
Molecular Weight440.70 g/mol
Exact Mass440.29
IUPAC Name2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCCCOc1ccc(-c2cn3cc(CCCCCCC)sc3n2)cc1
InChIInChI=1S/C27H40N2OS/c1-3-5-7-9-10-12-14-20-30-24-18-16-23(17-19-24)26-22-29-21-25(31-27(29)28-26)15-13-11-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3
InChIKeyHEWOCTJNDZTCKQ-UHFFFAOYSA-N
XLogP8.71
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 58.71
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-heptyl-6-(4-oct-7-enoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 70111385
6-(4-heptylphenyl)-2-octylimidazo[2,1-b][1,3]thiazole
CID 70109807
2-nonyl-6-[4-[(2S)-octan-2-yl]oxyphenyl]imidazo[2,1-b][1,3]thiazole
CID 22940559
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
6-(4-butoxyphenyl)imidazo[2,1-b][1,3]thiazole
CID 19224481
6-(2,3-difluoro-4-nonylphenyl)-2-heptylimidazo[2,1-b][1,3]thiazole
CID 70109561
6-[2-fluoro-4-[(2S)-octan-2-yl]oxyphenyl]-2-octylimidazo[2,1-b][1,3]thiazole
CID 22940562
6-cyclohexa-1,3-dien-1-yl-2-hexylimidazo[2,1-b][1,3]thiazole
CID 67743170
2-(4-octoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 67640573
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole (CID 70111058) is 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole is CCCCCCCCCOc1ccc(-c2cn3cc(CCCCCCC)sc3n2)cc1.
What is the InChIKey of 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is HEWOCTJNDZTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2OS/c1-3-5-7-9-10-12-14-20-30-24-18-16-23(17-19-24)26-22-29-21-25(31-27(29)28-26)15-13-11-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3.
What are the key properties of 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole?
2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 440.70 g/mol, XLogP of 8.71, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-6-(4-nonoxyphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70111058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).