6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole

C18H24N2S — CID 67743173

IUPAC6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCc1cn2cc(C3=CC=CCC3)nc2s1
InChIInChI=1S/C18H24N2S/c1-2-3-4-5-9-12-16-13-20-14-17(19-18(20)21-16)15-10-7-6-8-11-15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3
InChIKeyGRYYCQKAKHZSRJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.64
Rot. Bonds7

About 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole

6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole (PubChem CID 67743173) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole
PubChem CID67743173
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCCc1cn2cc(C3=CC=CCC3)nc2s1
InChIInChI=1S/C18H24N2S/c1-2-3-4-5-9-12-16-13-20-14-17(19-18(20)21-16)15-10-7-6-8-11-15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3
InChIKeyGRYYCQKAKHZSRJ-UHFFFAOYSA-N
XLogP5.64
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.64
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-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole (CID 67743173) is 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole is CCCCCCCc1cn2cc(C3=CC=CCC3)nc2s1.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole?
The InChIKey is GRYYCQKAKHZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-3-4-5-9-12-16-13-20-14-17(19-18(20)21-16)15-10-7-6-8-11-15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3.
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole?
6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole has a molecular weight of 300.47 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,3-dien-1-yl-2-heptylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 67743173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).