bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole

C29H48N10S — CID 159493460

IUPACbis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccs1.CC(C)c1ncn[nH]1
InChIInChI=1S/3C6H10N2.C6H9NS.C5H9N3/c2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyLYMFAVJEEWAGAX-UHFFFAOYSA-N
MW568.84 g/mol
LogP7.79
Rot. Bonds5

About bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole

bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 159493460) has the molecular formula C29H48N10S and a molecular weight of 568.84 g/mol. Its IUPAC name is bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Namebis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID159493460
Molecular FormulaC29H48N10S
Molecular Weight568.84 g/mol
Exact Mass568.38
IUPAC Namebis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccs1.CC(C)c1ncn[nH]1
InChIInChI=1S/3C6H10N2.C6H9NS.C5H9N3/c2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyLYMFAVJEEWAGAX-UHFFFAOYSA-N
XLogP7.79
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.84
LogP ≤ 57.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

5-imidazolidin-1-yl-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(2H-tetrazol-5-yl)-2-(1,3-thiazolidin-2-yl)-3-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 140994219
2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole
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4-[5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-2-yl]thiadiazole
CID 141328720
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2,6-bis(1H-pyrrol-2-yl)-3-pyridinyl]-1,3-thiazole
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CID 157074534
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157145620
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(4-propan-2-yl-2H-triazole);5-propan-2-yl-1H-1,2,4-triazole
CID 157146902
2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);bis(5-propan-2-yl-1H-pyrazole)
CID 157565884
2-methylpropane;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
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2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157936459
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;3,3-dimethylbut-1-ene;2,2,3-trimethylbutane
CID 158317854
methane;bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158395781

Frequently Asked Questions

What is the IUPAC name of bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole (CID 159493460) is bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.
What is the InChIKey of bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is LYMFAVJEEWAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H10N2.C6H9NS.C5H9N3/c2*1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 568.84 g/mol, XLogP of 7.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 159493460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).