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

C12H20Cl2N4S2 — CID 155166572

IUPAC6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=NCCCN3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C12H18N4S2.2ClH/c1-12(2)8-16-9(7-18-11(16)15-12)6-17-10-13-4-3-5-14-10;;/h7H,3-6,8H2,1-2H3,(H,13,14);2*1H
InChIKeyRATHUPUCLUQNOX-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.95
Rot. Bonds2

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

6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155166572) has the molecular formula C12H20Cl2N4S2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155166572
Molecular FormulaC12H20Cl2N4S2
Molecular Weight355.36 g/mol
Exact Mass354.05
IUPAC Name6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=NCCCN3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C12H18N4S2.2ClH/c1-12(2)8-16-9(7-18-11(16)15-12)6-17-10-13-4-3-5-14-10;;/h7H,3-6,8H2,1-2H3,(H,13,14);2*1H
InChIKeyRATHUPUCLUQNOX-UHFFFAOYSA-N
XLogP2.95
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 155166572) is 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is CC1(C)CN2C(CSC3=NCCCN3)=CSC2=N1.Cl.Cl.
What is the InChIKey of 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is RATHUPUCLUQNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2.2ClH/c1-12(2)8-16-9(7-18-11(16)15-12)6-17-10-13-4-3-5-14-10;;/h7H,3-6,8H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 355.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 155166572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).