3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole

C90H166N26O5S5 — CID 163722407

IUPAC3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.CC(C)(C)c1nnon1.CC(C)(C)c1nnsn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.Cn1cncn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
InChIInChI=1S/C8H14N2.C7H11NO.C7H11NS.C6H10N2O.C5H9N3O.2C5H9N3S.6C5H12.C4H6N2.C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S/c1-8(2,3)7-5-6-10(4)9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4;1-5(2,3)4-6-7-8-9-4;1-5(2,3)4-6-8-9-7-4;6*1-5(2,3)4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;2*1-2-5-3-4-1;2*1-3-2-5-4-1/h5-6H,1-4H3;2*4-5H,1-3H3;4H,1-3H3;3*1-3H3;6*1-4H3;2-4H,1H3;2-3H,1H3;2*1-3H;2*1-2H
InChIKeyKSRWBMPRMTYZST-UHFFFAOYSA-N
MW1852.83 g/mol
LogP25.70
Rot. Bonds

About 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole

3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole (PubChem CID 163722407) has the molecular formula C90H166N26O5S5 and a molecular weight of 1852.83 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
PubChem CID163722407
Molecular FormulaC90H166N26O5S5
Molecular Weight1852.83 g/mol
Exact Mass1851.21
IUPAC Name3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.CC(C)(C)c1nnon1.CC(C)(C)c1nnsn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.Cn1cncn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
InChIInChI=1S/C8H14N2.C7H11NO.C7H11NS.C6H10N2O.C5H9N3O.2C5H9N3S.6C5H12.C4H6N2.C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S/c1-8(2,3)7-5-6-10(4)9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4;1-5(2,3)4-6-7-8-9-4;1-5(2,3)4-6-8-9-7-4;6*1-5(2,3)4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;2*1-2-5-3-4-1;2*1-3-2-5-4-1/h5-6H,1-4H3;2*4-5H,1-3H3;4H,1-3H3;3*1-3H3;6*1-4H3;2-4H,1H3;2-3H,1H3;2*1-3H;2*1-2H
InChIKeyKSRWBMPRMTYZST-UHFFFAOYSA-N
XLogP25.70
TPSA376.96 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.83
LogP ≤ 525.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?
The IUPAC name of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole (CID 163722407) is 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole.
What is the SMILES notation for 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?
The canonical SMILES for 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccon1.CC(C)(C)c1ccsn1.CC(C)(C)c1nnco1.CC(C)(C)c1nnns1.CC(C)(C)c1nnon1.CC(C)(C)c1nnsn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1.Cn1cncn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.
What is the InChIKey of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?
The InChIKey is KSRWBMPRMTYZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H11NO.C7H11NS.C6H10N2O.C5H9N3O.2C5H9N3S.6C5H12.C4H6N2.C3H5N3.C3H3NO.C3H3NS.C2H2N2O.C2H2N2S/c1-8(2,3)7-5-6-10(4)9-7;2*1-7(2,3)6-4-5-9-8-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4;1-5(2,3)4-6-7-8-9-4;1-5(2,3)4-6-8-9-7-4;6*1-5(2,3)4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;2*1-2-5-3-4-1;2*1-3-2-5-4-1/h5-6H,1-4H3;2*4-5H,1-3H3;4H,1-3H3;3*1-3H3;6*1-4H3;2-4H,1H3;2-3H,1H3;2*1-3H;2*1-2H.
What are the key properties of 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole?
3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole has a molecular weight of 1852.83 g/mol, XLogP of 25.70, 0 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-1,2,3,5-oxatriazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2,3,5-thiatriazole;5-tert-butylthiatriazole;3-tert-butyl-1,2-thiazole;hexakis(2,2-dimethylpropane);1-methylimidazole;1-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3-thiazole is sourced from PubChem (CID 163722407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).