1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C60H89N11OS3 — CID 158103590

IUPAC1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnc1
InChIInChI=1S/3C8H11N.2C7H10S.2C6H10N2.C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-4(2)5-7-6-3-8-5/h3*3-7H,1-2H3;4*3-6H,1-2H3;2*3-4H,1-2H3
InChIKeyFPOIXGAWOBIKFB-UHFFFAOYSA-N
MW1076.65 g/mol
LogP18.14
Rot. Bonds9

About 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158103590) has the molecular formula C60H89N11OS3 and a molecular weight of 1076.65 g/mol. Its IUPAC name is 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158103590
Molecular FormulaC60H89N11OS3
Molecular Weight1076.65 g/mol
Exact Mass1075.64
IUPAC Name1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnc1
InChIInChI=1S/3C8H11N.2C7H10S.2C6H10N2.C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-4(2)5-7-6-3-8-5/h3*3-7H,1-2H3;4*3-6H,1-2H3;2*3-4H,1-2H3
InChIKeyFPOIXGAWOBIKFB-UHFFFAOYSA-N
XLogP18.14
TPSA139.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.65
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

1,3-Dimethyl-5-(2-methylpropyl)pyrazole;1,5-dimethyl-4-(2-methylpropyl)pyrazole;6-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole;4-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole
CID 157127281
2,5-Ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyl-1,3-thiazole;methane
CID 157517247
1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;3,6-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)-2H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole
CID 157809491
CID 158312685
CID 158312685
1,4-Ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 158372933
1,3-Di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,2-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 158419814
Cumene;1-ethyl-5-methyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylimidazole;methane;1-methyl-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine;2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole
CID 158768451
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 158773770
1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole
CID 158955949
2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine
CID 159057938
CID 159711638
CID 159711638
Bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
CID 159861655

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158103590) is 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1ccnc1.
What is the InChIKey of 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is FPOIXGAWOBIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.2C7H10S.2C6H10N2.C5H8N2O.C5H8N2S/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;2*1-4(2)5-7-6-3-8-5/h3*3-7H,1-2H3;4*3-6H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1076.65 g/mol, XLogP of 18.14, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158103590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).