(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride

C15H24Cl2N4S2 — CID 162532384

IUPAC(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride
SMILESCC1(C)CN=C(SCC2=CSC3=N[C@@H]4CCC[C@@H](C4)N23)N1.Cl.Cl
InChIInChI=1S/C15H22N4S2.2ClH/c1-15(2)9-16-13(18-15)20-7-12-8-21-14-17-10-4-3-5-11(6-10)19(12)14;;/h8,10-11H,3-7,9H2,1-2H3,(H,16,18);2*1H/t10-,11+;;/m1../s1
InChIKeyNDFZOUGFGMTECW-OXPNAJOUSA-N
MW395.43 g/mol
LogP3.87
Rot. Bonds2

About (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride

(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride (PubChem CID 162532384) has the molecular formula C15H24Cl2N4S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride.

Molecular Properties

Compound Name(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride
PubChem CID162532384
Molecular FormulaC15H24Cl2N4S2
Molecular Weight395.43 g/mol
Exact Mass394.08
IUPAC Name(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride
SMILESCC1(C)CN=C(SCC2=CSC3=N[C@@H]4CCC[C@@H](C4)N23)N1.Cl.Cl
InChIInChI=1S/C15H22N4S2.2ClH/c1-15(2)9-16-13(18-15)20-7-12-8-21-14-17-10-4-3-5-11(6-10)19(12)14;;/h8,10-11H,3-7,9H2,1-2H3,(H,16,18);2*1H/t10-,11+;;/m1../s1
InChIKeyNDFZOUGFGMTECW-OXPNAJOUSA-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 (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,8R)-3-(chloromethyl)-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene
CID 162532392
1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 155166533
(4aR,8aS)-1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 155166524
3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166522
(4aS,8aR)-1-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 162532337
(2S,6R)-11-[[(3aR,6aR)-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-yl]sulfanylmethyl]-4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-7,10-diene
CID 162532343
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 155167094
3-[[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-6-benzyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 162532376
3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005196
3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 155166937
3-ethyl-3,6-dimethyl-1-(3-methylcyclohexyl)piperazine-2,5-dione
CID 64960224
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride?
The IUPAC name of (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride (CID 162532384) is (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride.
What is the SMILES notation for (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride?
The canonical SMILES for (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride is CC1(C)CN=C(SCC2=CSC3=N[C@@H]4CCC[C@@H](C4)N23)N1.Cl.Cl.
What is the InChIKey of (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride?
The InChIKey is NDFZOUGFGMTECW-OXPNAJOUSA-N. The full InChI is InChI=1S/C15H22N4S2.2ClH/c1-15(2)9-16-13(18-15)20-7-12-8-21-14-17-10-4-3-5-11(6-10)19(12)14;;/h8,10-11H,3-7,9H2,1-2H3,(H,16,18);2*1H/t10-,11+;;/m1../s1.
What are the key properties of (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride?
(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;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 (1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride is sourced from PubChem (CID 162532384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).