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

C15H26Cl2N4S2 — CID 155166706

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN=C(SCC2=CSC3=NC(C)(C)C(C)(C)N23)N1.Cl.Cl
InChIInChI=1S/C15H24N4S2.2ClH/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);2*1H
InChIKeyCKXVSDUHGVVPKL-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.12
Rot. Bonds2

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

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155166706) has the molecular formula C15H26Cl2N4S2 and a molecular weight of 397.44 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;dihydrochloride.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155166706
Molecular FormulaC15H26Cl2N4S2
Molecular Weight397.44 g/mol
Exact Mass396.10
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN=C(SCC2=CSC3=NC(C)(C)C(C)(C)N23)N1.Cl.Cl
InChIInChI=1S/C15H24N4S2.2ClH/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);2*1H
InChIKeyCKXVSDUHGVVPKL-UHFFFAOYSA-N
XLogP4.12
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;dihydrochloride?
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;dihydrochloride (CID 155166706) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride.
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;dihydrochloride?
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;dihydrochloride is CC1(C)CN=C(SCC2=CSC3=NC(C)(C)C(C)(C)N23)N1.Cl.Cl.
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;dihydrochloride?
The InChIKey is CKXVSDUHGVVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2.2ClH/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);2*1H.
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;dihydrochloride?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 397.44 g/mol, XLogP of 4.12, 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;dihydrochloride is sourced from PubChem (CID 155166706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).