3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C15H17ClN2OS — CID 3067942

IUPAC3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-2-3-8-19-14-5-4-11(9-12(14)16)13-10-20-15-17-6-7-18(13)15/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyPBLXONZBBYAPNZ-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.24
Rot. Bonds5

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

3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 3067942) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID3067942
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl
InChIInChI=1S/C15H17ClN2OS/c1-2-3-8-19-14-5-4-11(9-12(14)16)13-10-20-15-17-6-7-18(13)15/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyPBLXONZBBYAPNZ-UHFFFAOYSA-N
XLogP4.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 3067942) is 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.
What is the InChIKey of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is PBLXONZBBYAPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-3-8-19-14-5-4-11(9-12(14)16)13-10-20-15-17-6-7-18(13)15/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 308.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 3067942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).