1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole

C241H418N40O6S4 — CID 157273346

IUPAC1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
SMILESCC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/C13H17NS.C12H20N2.C11H17N.C10H16N2.C10H17N.C10H20.6C9H16N2.5C9H15NO.2C9H15NS.C9H19N.C9H18.3C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;7-10H,5-6H2,1-4H3;3*5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);7*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3
InChIKeyAYUIKTVRDQNFKT-UHFFFAOYSA-N
MW4100.54 g/mol
LogP73.41
Rot. Bonds52

About 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole

1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole (PubChem CID 157273346) has the molecular formula C241H418N40O6S4 and a molecular weight of 4100.54 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
PubChem CID157273346
Molecular FormulaC241H418N40O6S4
Molecular Weight4100.54 g/mol
Exact Mass4097.25
IUPAC Name1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
SMILESCC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1
InChIInChI=1S/C13H17NS.C12H20N2.C11H17N.C10H16N2.C10H17N.C10H20.6C9H16N2.5C9H15NO.2C9H15NS.C9H19N.C9H18.3C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;7-10H,5-6H2,1-4H3;3*5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);7*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3
InChIKeyAYUIKTVRDQNFKT-UHFFFAOYSA-N
XLogP73.41
TPSA540.67 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds52
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004100.54
LogP ≤ 573.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Analyze 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole (CID 157273346) is 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole is CC(C)C1CC(C(C)C)C1.CC(C)C1CC1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc2n(n1)CCC2C(C)C.CC(C)c1cccn1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccnn1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)n1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nc2cccc(C(C)C)c2s1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.
What is the InChIKey of 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?
The InChIKey is AYUIKTVRDQNFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C12H20N2.C11H17N.C10H16N2.C10H17N.C10H20.6C9H16N2.5C9H15NO.2C9H15NS.C9H19N.C9H18.3C8H15N3.C8H14N2O.C8H14N2S/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)10-5-6-14-12(10)7-11(13-14)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)9-5-6-10-11(9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-10-9(11-8)7(3)4;1-7(2)9-5-10(6-9)8(3)4;1-6(2)8-5-9(8)7(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;2*1-5(2)7-9-10-8(11-7)6(3)4/h5-9H,1-4H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;7-10H,5-6H2,1-4H3;3*5-8H,1-4H3;3*5-7H,1-4H3,(H,10,11);7*5-7H,1-4H3;7-9H,5-6H2,1-4H3;6-9H,5H2,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole?
1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole has a molecular weight of 4100.54 g/mol, XLogP of 73.41, 52 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azetidine;2,7-di(propan-2-yl)-1,3-benzothiazole;1,3-di(propan-2-yl)cyclobutane;1,2-di(propan-2-yl)cyclopropane;2,4-di(propan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1,4-di(propan-2-yl)imidazole;bis(2,5-di(propan-2-yl)-1H-imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,2-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);1,3-di(propan-2-yl)-1,2,4-triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 157273346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).