6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride

C16H16Cl4FN3S — CID 140668830

IUPAC6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1
InChIInChI=1S/C16H12FN3S.4ClH/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14;;;;/h1-8H,9-10H2;4*1H
InChIKeyQXEYOAYCCCCJRO-UHFFFAOYSA-N
MW443.20 g/mol
LogP5.54
Rot. Bonds2

About 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride

6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride (PubChem CID 140668830) has the molecular formula C16H16Cl4FN3S and a molecular weight of 443.20 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride
PubChem CID140668830
Molecular FormulaC16H16Cl4FN3S
Molecular Weight443.20 g/mol
Exact Mass440.98
IUPAC Name6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1
InChIInChI=1S/C16H12FN3S.4ClH/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14;;;;/h1-8H,9-10H2;4*1H
InChIKeyQXEYOAYCCCCJRO-UHFFFAOYSA-N
XLogP5.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.20
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride?
The IUPAC name of 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride (CID 140668830) is 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride.
What is the SMILES notation for 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride?
The canonical SMILES for 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride is Cl.Cl.Cl.Cl.Fc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride?
The InChIKey is QXEYOAYCCCCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3S.4ClH/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14;;;;/h1-8H,9-10H2;4*1H.
What are the key properties of 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride?
6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride has a molecular weight of 443.20 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-pyridin-4-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;tetrahydrochloride is sourced from PubChem (CID 140668830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).