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

C11H16N4S2 — CID 155166755

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CSC3=NCCN3)=CSC2=N1
InChIInChI=1S/C11H16N4S2/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)
InChIKeyGYICNTFHHPOVHO-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.72
Rot. Bonds2

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

3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166755) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 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.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155166755
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CSC3=NCCN3)=CSC2=N1
InChIInChI=1S/C11H16N4S2/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)
InChIKeyGYICNTFHHPOVHO-UHFFFAOYSA-N
XLogP1.72
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.72
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?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 155166755) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
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?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC1(C)CN2C(CSC3=NCCN3)=CSC2=N1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is GYICNTFHHPOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/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).
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?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 268.41 g/mol, XLogP of 1.72, 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 is sourced from PubChem (CID 155166755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).