3-[[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 155166720

IUPAC3-[[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)C1N=C(SCC2=CSC3=NC(C)(C)CN23)NC1C(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)
InChIKeyMDJPIXJITBKCGO-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.77
Rot. Bonds4

About 3-[[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-[[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 155166720) has the molecular formula C17H28N4S2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 3-[[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-[[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 CID155166720
Molecular FormulaC17H28N4S2
Molecular Weight352.57 g/mol
Exact Mass352.18
IUPAC Name3-[[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)C1N=C(SCC2=CSC3=NC(C)(C)CN23)NC1C(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)
InChIKeyMDJPIXJITBKCGO-UHFFFAOYSA-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-[[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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Frequently Asked Questions

What is the IUPAC name of 3-[[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-[[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 155166720) is 3-[[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-[[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-[[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)C1N=C(SCC2=CSC3=NC(C)(C)CN23)NC1C(C)C.
What is the InChIKey of 3-[[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-UHFFFAOYSA-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).
What are the key properties of 3-[[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-[[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-[[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 155166720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).