3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C17H21ClN2OS — CID 3074655

IUPAC3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C17H21ClN2OS/c1-2-3-4-5-10-21-16-7-6-13(11-14(16)18)15-12-22-17-19-8-9-20(15)17/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyXNJAMXDZOHUWET-UHFFFAOYSA-N
MW336.89 g/mol
LogP5.02
Rot. Bonds7

About 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 3074655) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID3074655
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C17H21ClN2OS/c1-2-3-4-5-10-21-16-7-6-13(11-14(16)18)15-12-22-17-19-8-9-20(15)17/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyXNJAMXDZOHUWET-UHFFFAOYSA-N
XLogP5.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.89
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 3074655) is 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is XNJAMXDZOHUWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-2-3-4-5-10-21-16-7-6-13(11-14(16)18)15-12-22-17-19-8-9-20(15)17/h6-7,11-12H,2-5,8-10H2,1H3.
What are the key properties of 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 336.89 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hexoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3074655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).