3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

C11H18Cl2N4S2 — CID 155166754

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=NCCN3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C11H16N4S2.2ClH/c1-11(2)7-15-8(6-17-10(15)14-11)5-16-9-12-3-4-13-9;;/h6H,3-5,7H2,1-2H3,(H,12,13);2*1H
InChIKeyQJGBNBPYFWTWMT-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.56
Rot. Bonds2

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155166754) has the molecular formula C11H18Cl2N4S2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155166754
Molecular FormulaC11H18Cl2N4S2
Molecular Weight341.33 g/mol
Exact Mass340.03
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=NCCN3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C11H16N4S2.2ClH/c1-11(2)7-15-8(6-17-10(15)14-11)5-16-9-12-3-4-13-9;;/h6H,3-5,7H2,1-2H3,(H,12,13);2*1H
InChIKeyQJGBNBPYFWTWMT-UHFFFAOYSA-N
XLogP2.56
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 155166754) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is CC1(C)CN2C(CSC3=NCCN3)=CSC2=N1.Cl.Cl.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is QJGBNBPYFWTWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2.2ClH/c1-11(2)7-15-8(6-17-10(15)14-11)5-16-9-12-3-4-13-9;;/h6H,3-5,7H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 341.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 155166754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).