5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole

C16H27N3S — CID 162038265

IUPAC5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cc1cscn1
InChIInChI=1S/C8H14N2.C8H13NS/c1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)4-7-5-10-6-9-7/h5-6H,4H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3
InChIKeyYWXXTKUIFLGLBG-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.73
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole

5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 162038265) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole
PubChem CID162038265
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole
SMILESCC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cc1cscn1
InChIInChI=1S/C8H14N2.C8H13NS/c1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)4-7-5-10-6-9-7/h5-6H,4H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3
InChIKeyYWXXTKUIFLGLBG-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylbut-3-enyl)-1H-imidazole
CID 66705656
[1-(1H-imidazol-5-yl)-2-methyl-3-oxobutan-2-yl]azanium
CID 23403341
2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 68831374
5-(2-methyl-2-propylhexyl)-1H-imidazole
CID 139423200
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 19918803
4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175
hydroxy-[4-(1H-imidazol-5-yl)-2-methylbutan-2-yl]-dimethylsilane
CID 71167987
CID 101407841
CID 101407841
2,2-dimethylbutane;bis(2,2-dimethylpropylbenzene);5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)-1H-indole;ethane
CID 158482274
ethane;5-(ethoxymethyl)-1H-imidazole
CID 176980020
2-amino-2-(1H-imidazol-5-ylmethyl)-3-methoxypropanal
CID 163822247

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole (CID 162038265) is 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole is CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cc1cscn1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is YWXXTKUIFLGLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H13NS/c1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)4-7-5-10-6-9-7/h5-6H,4H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole?
5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 293.48 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1H-imidazole;4-(2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 162038265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).