ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole

C78H162N16O2S2 — CID 157226919

IUPACethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)n1ccnc1.CC(C)n1cncn1.Cc1nnc(C(C)C)o1.Cc1nsc(C(C)C)n1
InChIInChI=1S/C8H11N.C7H12N2.C7H10N2.C6H10N2O.C6H10N2S.C6H10N2.C6H9NO.C6H9NS.C5H9N3.6C2H6.9CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-6(2)8-4-3-7-5-8;2*1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;6*1-2;;;;;;;;;/h3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3;6*1-2H3;9*1H4
InChIKeyATQLVSNBIKIGQK-UHFFFAOYSA-N
MW1420.40 g/mol
LogP27.09
Rot. Bonds9

About ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole

ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole (PubChem CID 157226919) has the molecular formula C78H162N16O2S2 and a molecular weight of 1420.40 g/mol. Its IUPAC name is ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Nameethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
PubChem CID157226919
Molecular FormulaC78H162N16O2S2
Molecular Weight1420.40 g/mol
Exact Mass1419.25
IUPAC Nameethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)n1ccnc1.CC(C)n1cncn1.Cc1nnc(C(C)C)o1.Cc1nsc(C(C)C)n1
InChIInChI=1S/C8H11N.C7H12N2.C7H10N2.C6H10N2O.C6H10N2S.C6H10N2.C6H9NO.C6H9NS.C5H9N3.6C2H6.9CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-6(2)8-4-3-7-5-8;2*1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;6*1-2;;;;;;;;;/h3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3;6*1-2H3;9*1H4
InChIKeyATQLVSNBIKIGQK-UHFFFAOYSA-N
XLogP27.09
TPSA208.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.40
LogP ≤ 527.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole with MolForge

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Related Compounds

4-(1,1-Difluoroethyl)-2-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine
CID 157670881
2,5-Dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158116052
2,5-Dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 159733010
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazole;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;2-propan-2-yl-4-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]morpholine;4-(2-propan-2-yl-1,3-thiazol-5-yl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161155018
CID 161450057
CID 161450057
2,4-dimethyl-1,3-oxazole;tris(2,5-dimethyl-1,3-oxazole);1,3-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methylpyridine;1-methylpyrrole;2-methyl-3H-pyrrole
CID 157135326
5-tert-butyl-2-propan-2-yl-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;5-ethyl-2-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
CID 157229571
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
1,2-Dimethyl-5-propan-2-ylimidazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-5-propan-2-ylpyrazole;2-fluoro-5-propan-2-ylthiophene;1-methyl-5-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1-propylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;1-propan-2-ylcyclopentene;5-propan-2-yl-2,3-dihydrofuran;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;3-propan-2-yloxolane;5-propan-2-yl-1,2-thiazole
CID 157604179
Ethane;1-methylimidazole;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methylpyridin-2-one;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yltriazole;pyridine;pyrimidine;1,3-thiazole
CID 157706715
5-tert-butyl-2-propan-2-yl-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;5-ethyl-2-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;5-methyl-3-propan-2-yl-1H-pyrazole;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-ylpyridine
CID 157713088

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole?
The IUPAC name of ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole (CID 157226919) is ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole is C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)n1ccnc1.CC(C)n1cncn1.Cc1nnc(C(C)C)o1.Cc1nsc(C(C)C)n1.
What is the InChIKey of ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole?
The InChIKey is ATQLVSNBIKIGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H12N2.C7H10N2.C6H10N2O.C6H10N2S.C6H10N2.C6H9NO.C6H9NS.C5H9N3.6C2H6.9CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-4-8-5-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-6(2)8-4-3-7-5-8;2*1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;6*1-2;;;;;;;;;/h3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*4H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3;6*1-2H3;9*1H4.
What are the key properties of ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole?
ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole has a molecular weight of 1420.40 g/mol, XLogP of 27.09, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 157226919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).