3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C11H16N4S2 — CID 155166788

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN=C(SCC2=CSC3=NCCN23)N1
InChIInChI=1S/C11H16N4S2/c1-11(2)7-13-9(14-11)16-5-8-6-17-10-12-3-4-15(8)10/h6H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyRXIQFEHDQIOEKJ-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.72
Rot. Bonds2

About 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 155166788) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID155166788
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN=C(SCC2=CSC3=NCCN23)N1
InChIInChI=1S/C11H16N4S2/c1-11(2)7-13-9(14-11)16-5-8-6-17-10-12-3-4-15(8)10/h6H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyRXIQFEHDQIOEKJ-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-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 155166788) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1(C)CN=C(SCC2=CSC3=NCCN23)N1.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is RXIQFEHDQIOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-11(2)7-13-9(14-11)16-5-8-6-17-10-12-3-4-15(8)10/h6H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[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-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).