2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride

C17H15ClN2S — CID 138398072

IUPAC2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.c1ccc(C2=C(c3ccccc3)N3CCN=C3S2)cc1
InChIInChI=1S/C17H14N2S.ClH/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)20-17-18-11-12-19(15)17;/h1-10H,11-12H2;1H
InChIKeyCVQPNFOMLODEIS-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.35
Rot. Bonds2

About 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride

2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 138398072) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID138398072
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.c1ccc(C2=C(c3ccccc3)N3CCN=C3S2)cc1
InChIInChI=1S/C17H14N2S.ClH/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)20-17-18-11-12-19(15)17;/h1-10H,11-12H2;1H
InChIKeyCVQPNFOMLODEIS-UHFFFAOYSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 138398072) is 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.c1ccc(C2=C(c3ccccc3)N3CCN=C3S2)cc1.
What is the InChIKey of 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is CVQPNFOMLODEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S.ClH/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)20-17-18-11-12-19(15)17;/h1-10H,11-12H2;1H.
What are the key properties of 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 314.84 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 138398072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).