methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C60H86N10S — CID 159493706

IUPACmethane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESC.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C(C)C)nc1-c1ccccc1.CC(C)c1cncnc1.CC(C)c1nccs1
InChIInChI=1S/C15H20N2.3C8H11N.2C7H10N2.C6H9NS.CH4/c1-11(2)14-10-17(12(3)4)16-15(14)13-8-6-5-7-9-13;1-7(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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-7-3-4-8-6;/h5-12H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;1H4
InChIKeyLYMXXIUTAAOYOS-UHFFFAOYSA-N
MW979.49 g/mol
LogP16.97
Rot. Bonds9

About methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 159493706) has the molecular formula C60H86N10S and a molecular weight of 979.49 g/mol. Its IUPAC name is methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namemethane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID159493706
Molecular FormulaC60H86N10S
Molecular Weight979.49 g/mol
Exact Mass978.68
IUPAC Namemethane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESC.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C(C)C)nc1-c1ccccc1.CC(C)c1cncnc1.CC(C)c1nccs1
InChIInChI=1S/C15H20N2.3C8H11N.2C7H10N2.C6H9NS.CH4/c1-11(2)14-10-17(12(3)4)16-15(14)13-8-6-5-7-9-13;1-7(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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-7-3-4-8-6;/h5-12H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;1H4
InChIKeyLYMXXIUTAAOYOS-UHFFFAOYSA-N
XLogP16.97
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.49
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 159493706) is methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn(C(C)C)nc1-c1ccccc1.CC(C)c1cncnc1.CC(C)c1nccs1.
What is the InChIKey of methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is LYMXXIUTAAOYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.3C8H11N.2C7H10N2.C6H9NS.CH4/c1-11(2)14-10-17(12(3)4)16-15(14)13-8-6-5-7-9-13;1-7(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)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-5(2)6-7-3-4-8-6;/h5-12H,1-4H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;1H4.
What are the key properties of methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 979.49 g/mol, XLogP of 16.97, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-phenyl-1,4-di(propan-2-yl)pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159493706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).