3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C11H11ClN2S2 — CID 169005065

IUPAC3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESClCC1=CSC2=NC(Cc3cccs3)CN12
InChIInChI=1S/C11H11ClN2S2/c12-5-9-7-16-11-13-8(6-14(9)11)4-10-2-1-3-15-10/h1-3,7-8H,4-6H2
InChIKeyTUUXYCIXOXTJOY-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.16
Rot. Bonds3

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

3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 169005065) has the molecular formula C11H11ClN2S2 and a molecular weight of 270.81 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID169005065
Molecular FormulaC11H11ClN2S2
Molecular Weight270.81 g/mol
Exact Mass270.01
IUPAC Name3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESClCC1=CSC2=NC(Cc3cccs3)CN12
InChIInChI=1S/C11H11ClN2S2/c12-5-9-7-16-11-13-8(6-14(9)11)4-10-2-1-3-15-10/h1-3,7-8H,4-6H2
InChIKeyTUUXYCIXOXTJOY-UHFFFAOYSA-N
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(thiiran-2-ylmethyl)thiophene
CID 174452865
7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005155
2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole
CID 174973521
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83988958
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
1-phenyl-4-(thiophen-2-ylmethyl)pyrazolidin-3-one
CID 14840379
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
thiophen-2-ylmethylphosphane;hydroiodide
CID 174619498
2-(chloromethyl)thiophene;triphenylphosphane
CID 87275882
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
(4R)-1-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydroimidazole
CID 142070498

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 169005065) is 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is ClCC1=CSC2=NC(Cc3cccs3)CN12.
What is the InChIKey of 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is TUUXYCIXOXTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S2/c12-5-9-7-16-11-13-8(6-14(9)11)4-10-2-1-3-15-10/h1-3,7-8H,4-6H2.
What are the key properties of 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 270.81 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 169005065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).