6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

C19H18ClN2OS+ — CID 2400713

IUPAC6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[n+]3c2SCC3)cc1
InChIInChI=1S/C19H18ClN2OS/c1-2-23-17-9-7-16(8-10-17)22-18(13-21-11-12-24-19(21)22)14-3-5-15(20)6-4-14/h3-10,13H,2,11-12H2,1H3/q+1
InChIKeyHQUYMWZHIOKIES-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.59
Rot. Bonds4

About 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 2400713) has the molecular formula C19H18ClN2OS+ and a molecular weight of 357.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID2400713
Molecular FormulaC19H18ClN2OS+
Molecular Weight357.89 g/mol
Exact Mass357.08
IUPAC Name6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[n+]3c2SCC3)cc1
InChIInChI=1S/C19H18ClN2OS/c1-2-23-17-9-7-16(8-10-17)22-18(13-21-11-12-24-19(21)22)14-3-5-15(20)6-4-14/h3-10,13H,2,11-12H2,1H3/q+1
InChIKeyHQUYMWZHIOKIES-UHFFFAOYSA-N
XLogP4.59
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (CID 2400713) is 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is CCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[n+]3c2SCC3)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is HQUYMWZHIOKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN2OS/c1-2-23-17-9-7-16(8-10-17)22-18(13-21-11-12-24-19(21)22)14-3-5-15(20)6-4-14/h3-10,13H,2,11-12H2,1H3/q+1.
What are the key properties of 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium has a molecular weight of 357.89 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(4-ethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 2400713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).