(3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride

C13H20Cl2N4OS2 — CID 162532323

IUPAC(3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=N[C@H]4COC[C@H]4N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C13H18N4OS2.2ClH/c1-13(2)7-17-8(6-20-12(17)16-13)5-19-11-14-9-3-18-4-10(9)15-11;;/h6,9-10H,3-5,7H2,1-2H3,(H,14,15);2*1H/t9-,10+;;
InChIKeyJSLVKPRWFMEEBX-BUQWBUBUSA-N
MW383.37 g/mol
LogP2.33
Rot. Bonds2

About (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride

(3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride (PubChem CID 162532323) has the molecular formula C13H20Cl2N4OS2 and a molecular weight of 383.37 g/mol. Its IUPAC name is (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride.

Molecular Properties

Compound Name(3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride
PubChem CID162532323
Molecular FormulaC13H20Cl2N4OS2
Molecular Weight383.37 g/mol
Exact Mass382.05
IUPAC Name(3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=N[C@H]4COC[C@H]4N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C13H18N4OS2.2ClH/c1-13(2)7-17-8(6-20-12(17)16-13)5-19-11-14-9-3-18-4-10(9)15-11;;/h6,9-10H,3-5,7H2,1-2H3,(H,14,15);2*1H/t9-,10+;;
InChIKeyJSLVKPRWFMEEBX-BUQWBUBUSA-N
XLogP2.33
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride?
The IUPAC name of (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride (CID 162532323) is (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride.
What is the SMILES notation for (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride?
The canonical SMILES for (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride is CC1(C)CN2C(CSC3=N[C@H]4COC[C@H]4N3)=CSC2=N1.Cl.Cl.
What is the InChIKey of (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride?
The InChIKey is JSLVKPRWFMEEBX-BUQWBUBUSA-N. The full InChI is InChI=1S/C13H18N4OS2.2ClH/c1-13(2)7-17-8(6-20-12(17)16-13)5-19-11-14-9-3-18-4-10(9)15-11;;/h6,9-10H,3-5,7H2,1-2H3,(H,14,15);2*1H/t9-,10+;;.
What are the key properties of (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride?
(3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride has a molecular weight of 383.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methylsulfanyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole;dihydrochloride is sourced from PubChem (CID 162532323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).