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

C14H22N4S2 — CID 155176925

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1=C(CSC2=NCC(C)(C)N2)N2CC(C)(C)N=C2S1
InChIInChI=1S/C14H22N4S2/c1-9-10(6-19-11-15-7-13(2,3)16-11)18-8-14(4,5)17-12(18)20-9/h6-8H2,1-5H3,(H,15,16)
InChIKeyNGXONVXTILPZCK-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.89
Rot. Bonds2

About 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155176925) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155176925
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1=C(CSC2=NCC(C)(C)N2)N2CC(C)(C)N=C2S1
InChIInChI=1S/C14H22N4S2/c1-9-10(6-19-11-15-7-13(2,3)16-11)18-8-14(4,5)17-12(18)20-9/h6-8H2,1-5H3,(H,15,16)
InChIKeyNGXONVXTILPZCK-UHFFFAOYSA-N
XLogP2.89
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166513
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-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166522
3-(4,6-diazaspiro[2.4]hept-5-en-5-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155166558
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
6,6-dimethyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)-5H-imidazo[2,1-b][1,3]thiazole
CID 155166573
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155166706
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole
CID 155166707
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 155166711
3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166713
6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole
CID 155166716

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 155176925) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC1=C(CSC2=NCC(C)(C)N2)N2CC(C)(C)N=C2S1.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is NGXONVXTILPZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-9-10(6-19-11-15-7-13(2,3)16-11)18-8-14(4,5)17-12(18)20-9/h6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 310.49 g/mol, XLogP of 2.89, 2 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)sulfanylmethyl]-2,6,6-trimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155176925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).