3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

C12H22Cl2N4S2 — CID 155167124

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(=N1)SCC2SC1=NCC(C)(C)N1.Cl.Cl
InChIInChI=1S/C12H20N4S2.2ClH/c1-11(2)6-13-9(14-11)18-8-5-17-10-15-12(3,4)7-16(8)10;;/h8H,5-7H2,1-4H3,(H,13,14);2*1H
InChIKeyHVHKQMZDNYUHMQ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.82
Rot. Bonds1

About 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (PubChem CID 155167124) has the molecular formula C12H22Cl2N4S2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
PubChem CID155167124
Molecular FormulaC12H22Cl2N4S2
Molecular Weight357.38 g/mol
Exact Mass356.07
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
SMILESCC1(C)CN2C(=N1)SCC2SC1=NCC(C)(C)N1.Cl.Cl
InChIInChI=1S/C12H20N4S2.2ClH/c1-11(2)6-13-9(14-11)18-8-5-17-10-15-12(3,4)7-16(8)10;;/h8H,5-7H2,1-4H3,(H,13,14);2*1H
InChIKeyHVHKQMZDNYUHMQ-UHFFFAOYSA-N
XLogP2.82
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride with MolForge

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Related Compounds

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole
CID 155166506
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2-iodo-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155166565
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155167238
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155176925
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene;dihydrochloride
CID 169004865
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole
CID 169005139
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole;dihydrochloride
CID 169005253
5-(2-Pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene;dihydrochloride
CID 169005353
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
CID 175466821
N-[2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666990

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride (CID 155167124) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is CC1(C)CN2C(=N1)SCC2SC1=NCC(C)(C)N1.Cl.Cl.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
The InChIKey is HVHKQMZDNYUHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2.2ClH/c1-11(2)6-13-9(14-11)18-8-5-17-10-15-12(3,4)7-16(8)10;;/h8H,5-7H2,1-4H3,(H,13,14);2*1H.
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride has a molecular weight of 357.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride is sourced from PubChem (CID 155167124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).