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

C15H24N4S2 — CID 155166707

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN=C(SCC2=CSC3=NC(C)(C)C(C)(C)N23)N1
InChIInChI=1S/C15H24N4S2/c1-13(2)9-16-11(17-13)20-7-10-8-21-12-18-14(3,4)15(5,6)19(10)12/h8H,7,9H2,1-6H3,(H,16,17)
InChIKeyGBEHFEBGJWAJAB-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.27
Rot. Bonds2

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

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole (PubChem CID 155166707) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole
PubChem CID155166707
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN=C(SCC2=CSC3=NC(C)(C)C(C)(C)N23)N1
InChIInChI=1S/C15H24N4S2/c1-13(2)9-16-11(17-13)20-7-10-8-21-12-18-14(3,4)15(5,6)19(10)12/h8H,7,9H2,1-6H3,(H,16,17)
InChIKeyGBEHFEBGJWAJAB-UHFFFAOYSA-N
XLogP3.27
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.27
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]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole (CID 155166707) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole is CC1(C)CN=C(SCC2=CSC3=NC(C)(C)C(C)(C)N23)N1.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole?
The InChIKey is GBEHFEBGJWAJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-13(2)9-16-11(17-13)20-7-10-8-21-12-18-14(3,4)15(5,6)19(10)12/h8H,7,9H2,1-6H3,(H,16,17).
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole has a molecular weight of 324.52 g/mol, XLogP of 3.27, 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]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).