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

C31H56N10S — CID 158395781

IUPACmethane;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
SMILESC.C.CC(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.C5H9N3.2CH4/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);2*1H4
InChIKeyGXNIEJURVXSAAU-UHFFFAOYSA-N
MW600.93 g/mol
LogP9.07
Rot. Bonds5

About 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

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 (PubChem CID 158395781) has the molecular formula C31H56N10S and a molecular weight of 600.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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 CID158395781
Molecular FormulaC31H56N10S
Molecular Weight600.93 g/mol
Exact Mass600.44
IUPAC Namemethane;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
SMILESC.C.CC(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.C5H9N3.2CH4/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);2*1H4
InChIKeyGXNIEJURVXSAAU-UHFFFAOYSA-N
XLogP9.07
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.93
LogP ≤ 59.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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
CID 141056230
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
CID 141336754
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-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 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
CID 157812436
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
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;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 158413698

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.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 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?
The InChIKey is GXNIEJURVXSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H10N2.C6H9NS.C5H9N3.2CH4/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);2*1H4.
What are the key properties of 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?
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 has a molecular weight of 600.93 g/mol, XLogP of 9.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158395781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).