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

C14H24Cl2N4S2 — CID 155166985

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC(C)C1CN2C(CSC3=NCC(C)(C)N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C14H22N4S2.2ClH/c1-9(2)11-5-18-10(7-20-13(18)16-11)6-19-12-15-8-14(3,4)17-12;;/h7,9,11H,5-6,8H2,1-4H3,(H,15,17);2*1H
InChIKeyBAJQSSUITGDXEA-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.59
Rot. Bonds3

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

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155166985) has the molecular formula C14H24Cl2N4S2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155166985
Molecular FormulaC14H24Cl2N4S2
Molecular Weight383.41 g/mol
Exact Mass382.08
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC(C)C1CN2C(CSC3=NCC(C)(C)N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C14H22N4S2.2ClH/c1-9(2)11-5-18-10(7-20-13(18)16-11)6-19-12-15-8-14(3,4)17-12;;/h7,9,11H,5-6,8H2,1-4H3,(H,15,17);2*1H
InChIKeyBAJQSSUITGDXEA-UHFFFAOYSA-N
XLogP3.59
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 155166985) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride is CC(C)C1CN2C(CSC3=NCC(C)(C)N3)=CSC2=N1.Cl.Cl.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is BAJQSSUITGDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2.2ClH/c1-9(2)11-5-18-10(7-20-13(18)16-11)6-19-12-15-8-14(3,4)17-12;;/h7,9,11H,5-6,8H2,1-4H3,(H,15,17);2*1H.
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 383.41 g/mol, XLogP of 3.59, 3 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]-6-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 155166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).