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

C12H20N4S2 — CID 155166506

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(=N1)SCC2SC1=NCC(C)(C)N1
InChIInChI=1S/C12H20N4S2/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)
InChIKeyZAFSUKXXRCONLS-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.98
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

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166506) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 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.

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
PubChem CID155166506
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
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
SMILESCC1(C)CN2C(=N1)SCC2SC1=NCC(C)(C)N1
InChIInChI=1S/C12H20N4S2/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)
InChIKeyZAFSUKXXRCONLS-UHFFFAOYSA-N
XLogP1.98
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.98
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 with MolForge

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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 12211527
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2-iodo-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166517
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166753
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
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155176925
5,5-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
CID 169005315
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
CID 175466821
3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine
CID 4135361
2-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 133685612
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine
CID 135934541

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?
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 (CID 155166506) 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.
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?
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 is CC1(C)CN2C(=N1)SCC2SC1=NCC(C)(C)N1.
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?
The InChIKey is ZAFSUKXXRCONLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/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).
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?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 284.45 g/mol, XLogP of 1.98, 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 is sourced from PubChem (CID 155166506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).