methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole

C84H156N18O3S — CID 158148765

IUPACmethane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C1=NC(CN)=CC1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1cccn1
InChIInChI=1S/C8H14N2.2C8H11N.C7H10N2O.C7H10N2.C6H12N2O.3C6H10N2.C6H9NO.C6H9NS.10CH4/c1-6(2)8-4-3-7(5-9)10-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;;;;;;;;;;/h3,6H,4-5,9H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;4-5H,3H2,1-2H3;2*3-5H,1-2H3;10*1H4
InChIKeyFUVLDBKKZWMUNE-UHFFFAOYSA-N
MW1498.36 g/mol
LogP23.48
Rot. Bonds12

About methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole

methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole (PubChem CID 158148765) has the molecular formula C84H156N18O3S and a molecular weight of 1498.36 g/mol. Its IUPAC name is methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namemethane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole
PubChem CID158148765
Molecular FormulaC84H156N18O3S
Molecular Weight1498.36 g/mol
Exact Mass1497.23
IUPAC Namemethane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C1=NC(CN)=CC1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1cccn1
InChIInChI=1S/C8H14N2.2C8H11N.C7H10N2O.C7H10N2.C6H12N2O.3C6H10N2.C6H9NO.C6H9NS.10CH4/c1-6(2)8-4-3-7(5-9)10-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;;;;;;;;;;/h3,6H,4-5,9H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;4-5H,3H2,1-2H3;2*3-5H,1-2H3;10*1H4
InChIKeyFUVLDBKKZWMUNE-UHFFFAOYSA-N
XLogP23.48
TPSA267.31 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.36
LogP ≤ 523.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

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
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
3-methylpyridine;2-(2,3,3-trimethylbutan-2-yl)-1H-imidazole;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;2-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,3,3-trimethylbutan-2-yl)pyridazine;4-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,3,3-trimethylbutan-2-yl)pyridine;4-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,3,3-trimethylbutan-2-yl)pyrimidine;4-(2,3,3-trimethylbutan-2-yl)pyrimidine;2-(2,3,3-trimethylbutan-2-yl)-1,3-thiazole
CID 157170447
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
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
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
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157416201
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

Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole (CID 158148765) is methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole is C.C.C.C.C.C.C.C.C.C.CC(C)C1=NC(CN)=CC1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.CC(C)n1cccn1.
What is the InChIKey of methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole?
The InChIKey is FUVLDBKKZWMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C8H11N.C7H10N2O.C7H10N2.C6H12N2O.3C6H10N2.C6H9NO.C6H9NS.10CH4/c1-6(2)8-4-3-7(5-9)10-8;2*1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;;;;;;;;;;/h3,6H,4-5,9H2,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);3-6H,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;4-5H,3H2,1-2H3;2*3-5H,1-2H3;10*1H4.
What are the key properties of methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole?
methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole has a molecular weight of 1498.36 g/mol, XLogP of 23.48, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158148765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).