3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

C17H28N4S2 — CID 155166679

IUPAC3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC(C)[C@H]1N=C(SCC2=CSC3=NC(C)(C)CN23)N[C@H]1C(C)C
InChIInChI=1S/C17H28N4S2/c1-10(2)13-14(11(3)4)19-15(18-13)22-7-12-8-23-16-20-17(5,6)9-21(12)16/h8,10-11,13-14H,7,9H2,1-6H3,(H,18,19)/t13-,14+
InChIKeyMDJPIXJITBKCGO-OKILXGFUSA-N
MW352.57 g/mol
LogP3.77
Rot. Bonds4

About 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166679) has the molecular formula C17H28N4S2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155166679
Molecular FormulaC17H28N4S2
Molecular Weight352.57 g/mol
Exact Mass352.18
IUPAC Name3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC(C)[C@H]1N=C(SCC2=CSC3=NC(C)(C)CN23)N[C@H]1C(C)C
InChIInChI=1S/C17H28N4S2/c1-10(2)13-14(11(3)4)19-15(18-13)22-7-12-8-23-16-20-17(5,6)9-21(12)16/h8,10-11,13-14H,7,9H2,1-6H3,(H,18,19)/t13-,14+
InChIKeyMDJPIXJITBKCGO-OKILXGFUSA-N
XLogP3.77
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

Isothiourea-1t
CID 25147749
1-Cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
CID 25178140
1,3-Dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
CID 25178353
1-Cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)-3-hexylisothiourea
CID 25178567
3-(1,3-diazaspiro[4.5]dec-2-en-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166511
3-(1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 155166512
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-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 155166525
1-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 155166538
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
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
CID 155166649
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,5,6,6-tetramethylimidazo[2,1-b][1,3]thiazole
CID 155166707

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 155166679) is 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC(C)[C@H]1N=C(SCC2=CSC3=NC(C)(C)CN23)N[C@H]1C(C)C.
What is the InChIKey of 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is MDJPIXJITBKCGO-OKILXGFUSA-N. The full InChI is InChI=1S/C17H28N4S2/c1-10(2)13-14(11(3)4)19-15(18-13)22-7-12-8-23-16-20-17(5,6)9-21(12)16/h8,10-11,13-14H,7,9H2,1-6H3,(H,18,19)/t13-,14+.
What are the key properties of 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 352.57 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R,5S)-4,5-di(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).