3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

C15H24Cl2N4S2 — CID 155166648

IUPAC3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=N[C@@H]4CCCC[C@H]4N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C15H22N4S2.2ClH/c1-15(2)9-19-10(8-21-14(19)18-15)7-20-13-16-11-5-3-4-6-12(11)17-13;;/h8,11-12H,3-7,9H2,1-2H3,(H,16,17);2*1H/t11-,12-;;/m1../s1
InChIKeyAUSRSSDRDIQTSI-MBORUXJMSA-N
MW395.43 g/mol
LogP3.87
Rot. Bonds2

About 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155166648) has the molecular formula C15H24Cl2N4S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155166648
Molecular FormulaC15H24Cl2N4S2
Molecular Weight395.43 g/mol
Exact Mass394.08
IUPAC Name3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(CSC3=N[C@@H]4CCCC[C@H]4N3)=CSC2=N1.Cl.Cl
InChIInChI=1S/C15H22N4S2.2ClH/c1-15(2)9-19-10(8-21-14(19)18-15)7-20-13-16-11-5-3-4-6-12(11)17-13;;/h8,11-12H,3-7,9H2,1-2H3,(H,16,17);2*1H/t11-,12-;;/m1../s1
InChIKeyAUSRSSDRDIQTSI-MBORUXJMSA-N
XLogP3.87
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 155166648) is 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is CC1(C)CN2C(CSC3=N[C@@H]4CCCC[C@H]4N3)=CSC2=N1.Cl.Cl.
What is the InChIKey of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is AUSRSSDRDIQTSI-MBORUXJMSA-N. The full InChI is InChI=1S/C15H22N4S2.2ClH/c1-15(2)9-19-10(8-21-14(19)18-15)7-20-13-16-11-5-3-4-6-12(11)17-13;;/h8,11-12H,3-7,9H2,1-2H3,(H,16,17);2*1H/t11-,12-;;/m1../s1.
What are the key properties of 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 395.43 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 155166648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).