3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C14H15ClN2S — CID 169005355

IUPAC3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCc1cccc(CC2CN3C(CCl)=CSC3=N2)c1
InChIInChI=1S/C14H15ClN2S/c1-10-3-2-4-11(5-10)6-12-8-17-13(7-15)9-18-14(17)16-12/h2-5,9,12H,6-8H2,1H3
InChIKeyAKGNCBLGIFNMER-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.40
Rot. Bonds3

About 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 169005355) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID169005355
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCc1cccc(CC2CN3C(CCl)=CSC3=N2)c1
InChIInChI=1S/C14H15ClN2S/c1-10-3-2-4-11(5-10)6-12-8-17-13(7-15)9-18-14(17)16-12/h2-5,9,12H,6-8H2,1H3
InChIKeyAKGNCBLGIFNMER-UHFFFAOYSA-N
XLogP3.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.40
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-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 169005355) is 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Cc1cccc(CC2CN3C(CCl)=CSC3=N2)c1.
What is the InChIKey of 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is AKGNCBLGIFNMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-10-3-2-4-11(5-10)6-12-8-17-13(7-15)9-18-14(17)16-12/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 278.81 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 169005355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).