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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole

C138H211N27O2S3 — CID 160782772

IUPACcumene;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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole
SMILESC.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cnccn1.CC(C)c1cnsc1.CC(C)c1ncccn1.CC(C)c1nnc(N2CCOCC2)o1.CCn1cnc(C(C)C)c1.CCn1ncc(C(C)C)c1C.Cc1cnc(C(C)C)s1.Cc1nsc(C(C)C)n1
InChIInChI=1S/C9H15N3O2.C9H16N2.C9H12.C8H14N2.7C8H11N.C7H12N2.2C7H10N2.C7H11NS.C6H11N3.C6H10N2S.C6H9NS.CH4/c1-7(2)8-10-11-9(14-8)12-3-5-13-6-4-12;1-5-11-8(4)9(6-10-11)7(2)3;1-8(2)9-6-4-3-5-7-9;1-4-10-5-8(7(2)3)9-6-10;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;/h7H,3-6H2,1-2H3;6-7H,5H2,1-4H3;3-8H,1-2H3;5-7H,4H2,1-3H3;7*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;1H4
InChIKeySAUJKROTIIOEIB-UHFFFAOYSA-N
MW2376.59 g/mol
LogP36.77
Rot. Bonds21

About 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole

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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole (PubChem CID 160782772) has the molecular formula C138H211N27O2S3 and a molecular weight of 2376.59 g/mol. Its IUPAC name is 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Namecumene;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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole
PubChem CID160782772
Molecular FormulaC138H211N27O2S3
Molecular Weight2376.59 g/mol
Exact Mass2374.64
IUPAC Namecumene;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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole
SMILESC.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cnccn1.CC(C)c1cnsc1.CC(C)c1ncccn1.CC(C)c1nnc(N2CCOCC2)o1.CCn1cnc(C(C)C)c1.CCn1ncc(C(C)C)c1C.Cc1cnc(C(C)C)s1.Cc1nsc(C(C)C)n1
InChIInChI=1S/C9H15N3O2.C9H16N2.C9H12.C8H14N2.7C8H11N.C7H12N2.2C7H10N2.C7H11NS.C6H11N3.C6H10N2S.C6H9NS.CH4/c1-7(2)8-10-11-9(14-8)12-3-5-13-6-4-12;1-5-11-8(4)9(6-10-11)7(2)3;1-8(2)9-6-4-3-5-7-9;1-4-10-5-8(7(2)3)9-6-10;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;/h7H,3-6H2,1-2H3;6-7H,5H2,1-4H3;3-8H,1-2H3;5-7H,4H2,1-3H3;7*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;1H4
InChIKeySAUJKROTIIOEIB-UHFFFAOYSA-N
XLogP36.77
TPSA328.91 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.59
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole?
The IUPAC name of 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole (CID 160782772) is 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole?
The canonical SMILES for 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole is C.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cnccn1.CC(C)c1cnsc1.CC(C)c1ncccn1.CC(C)c1nnc(N2CCOCC2)o1.CCn1cnc(C(C)C)c1.CCn1ncc(C(C)C)c1C.Cc1cnc(C(C)C)s1.Cc1nsc(C(C)C)n1.
What is the InChIKey of 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole?
The InChIKey is SAUJKROTIIOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C9H16N2.C9H12.C8H14N2.7C8H11N.C7H12N2.2C7H10N2.C7H11NS.C6H11N3.C6H10N2S.C6H9NS.CH4/c1-7(2)8-10-11-9(14-8)12-3-5-13-6-4-12;1-5-11-8(4)9(6-10-11)7(2)3;1-8(2)9-6-4-3-5-7-9;1-4-10-5-8(7(2)3)9-6-10;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-7-8-4-6;/h7H,3-6H2,1-2H3;6-7H,5H2,1-4H3;3-8H,1-2H3;5-7H,4H2,1-3H3;7*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;1H4.
What are the key properties of 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole?
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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole has a molecular weight of 2376.59 g/mol, XLogP of 36.77, 21 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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);bis(4-propan-2-ylpyridine);2-propan-2-ylpyrimidine;4-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 160782772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).