6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole

C17H22N2S — CID 67794487

IUPAC6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCC1=C(c2cn3ccsc3n2)CCC=C1
InChIInChI=1S/C17H22N2S/c1-2-3-4-5-8-14-9-6-7-10-15(14)16-13-19-11-12-20-17(19)18-16/h6,9,11-13H,2-5,7-8,10H2,1H3
InChIKeyNCNIXHJHIVUQEC-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.47
Rot. Bonds6

About 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole

6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 67794487) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID67794487
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCCCCCCC1=C(c2cn3ccsc3n2)CCC=C1
InChIInChI=1S/C17H22N2S/c1-2-3-4-5-8-14-9-6-7-10-15(14)16-13-19-11-12-20-17(19)18-16/h6,9,11-13H,2-5,7-8,10H2,1H3
InChIKeyNCNIXHJHIVUQEC-UHFFFAOYSA-N
XLogP5.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.47
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole (CID 67794487) is 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole is CCCCCCC1=C(c2cn3ccsc3n2)CCC=C1.
What is the InChIKey of 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is NCNIXHJHIVUQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-3-4-5-8-14-9-6-7-10-15(14)16-13-19-11-12-20-17(19)18-16/h6,9,11-13H,2-5,7-8,10H2,1H3.
What are the key properties of 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole?
6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 286.44 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hexylcyclohexa-1,3-dien-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 67794487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).