3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

C13H20Cl2N4S2 — CID 155166558

IUPAC3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=NCC4(CC4)N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C13H18N4S2.2ClH/c1-12(2)8-17-9(6-19-11(17)16-12)5-18-10-14-7-13(15-10)3-4-13;;/h6H,3-5,7-8H2,1-2H3,(H,14,15);2*1H
InChIKeyGKMGQUYGIWQWCK-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.09
Rot. Bonds2

About 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155166558) has the molecular formula C13H20Cl2N4S2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155166558
Molecular FormulaC13H20Cl2N4S2
Molecular Weight367.37 g/mol
Exact Mass366.05
IUPAC Name3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=NCC4(CC4)N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C13H18N4S2.2ClH/c1-12(2)8-17-9(6-19-11(17)16-12)5-18-10-14-7-13(15-10)3-4-13;;/h6H,3-5,7-8H2,1-2H3,(H,14,15);2*1H
InChIKeyGKMGQUYGIWQWCK-UHFFFAOYSA-N
XLogP3.09
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 155166558) is 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is CC1(C)CN2C(CSC3=NCC4(CC4)N3)=CSC2=N1.Cl.Cl.
What is the InChIKey of 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is GKMGQUYGIWQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2.2ClH/c1-12(2)8-17-9(6-19-11(17)16-12)5-18-10-14-7-13(15-10)3-4-13;;/h6H,3-5,7-8H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 367.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 155166558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).