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

C16H20Cl2N2OS — CID 3074652

IUPAC3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl
InChIInChI=1S/C16H19ClN2OS.ClH/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16;/h5-6,10-11H,2-4,7-9H2,1H3;1H
InChIKeyPPZCWYKGHVIVOL-UHFFFAOYSA-N
MW359.32 g/mol
LogP5.05
Rot. Bonds6

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

3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 3074652) has the molecular formula C16H20Cl2N2OS and a molecular weight of 359.32 g/mol. Its IUPAC name is 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID3074652
Molecular FormulaC16H20Cl2N2OS
Molecular Weight359.32 g/mol
Exact Mass358.07
IUPAC Name3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl
InChIInChI=1S/C16H19ClN2OS.ClH/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16;/h5-6,10-11H,2-4,7-9H2,1H3;1H
InChIKeyPPZCWYKGHVIVOL-UHFFFAOYSA-N
XLogP5.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.32
LogP ≤ 55.05
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-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 3074652) is 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is CCCCCOc1ccc(C2=CSC3=NCCN23)cc1Cl.Cl.
What is the InChIKey of 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is PPZCWYKGHVIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS.ClH/c1-2-3-4-9-20-15-6-5-12(10-13(15)17)14-11-21-16-18-7-8-19(14)16;/h5-6,10-11H,2-4,7-9H2,1H3;1H.
What are the key properties of 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 359.32 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pentoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 3074652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).