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

C12H11Cl3N2S — CID 169004875

IUPAC3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.ClCC1=CSC2=NC(c3ccc(Cl)cc3)CN12
InChIInChI=1S/C12H10Cl2N2S.ClH/c13-5-10-7-17-12-15-11(6-16(10)12)8-1-3-9(14)4-2-8;/h1-4,7,11H,5-6H2;1H
InChIKeyYIOGFUSCUURTFE-UHFFFAOYSA-N
MW321.66 g/mol
LogP4.30
Rot. Bonds2

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

3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 169004875) has the molecular formula C12H11Cl3N2S and a molecular weight of 321.66 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID169004875
Molecular FormulaC12H11Cl3N2S
Molecular Weight321.66 g/mol
Exact Mass319.97
IUPAC Name3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.ClCC1=CSC2=NC(c3ccc(Cl)cc3)CN12
InChIInChI=1S/C12H10Cl2N2S.ClH/c13-5-10-7-17-12-15-11(6-16(10)12)8-1-3-9(14)4-2-8;/h1-4,7,11H,5-6H2;1H
InChIKeyYIOGFUSCUURTFE-UHFFFAOYSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 169004875) is 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.ClCC1=CSC2=NC(c3ccc(Cl)cc3)CN12.
What is the InChIKey of 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is YIOGFUSCUURTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S.ClH/c13-5-10-7-17-12-15-11(6-16(10)12)8-1-3-9(14)4-2-8;/h1-4,7,11H,5-6H2;1H.
What are the key properties of 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 321.66 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 169004875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).