4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene

C232H381N23O6S12 — CID 158336666

IUPAC4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CC2CCCN2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1nc(CN2CCC2)cs1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1ncc(CN2CCC2)s1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncns1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C15H23NO.C14H21NO.2C14H21N.2C13H20O2.2C12H20N2S.2C10H16N2S.C10H14.2C9H12.C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.2C6H9NS.C5H8N2S.11CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)13-6-3-5-12(9-13)10-14-7-4-8-15-14;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-8(2)10-11-9(7-13-10)6-12-4-3-5-12;1-8(2)10-11-6-9(13-10)7-12-4-3-5-12;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;;;;;;;;;/h3-6,13H,7-12H2,1-2H3;3-6,12H,7-11H2,1-2H3;3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;9-10H,3-8H2,1-2H3;8,10H,3-7,9H2,1-2H3;7-8H,3-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;4-8H,1-3H3;2*3-8H,1-2H3;3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;11*1H4
InChIKeyGQQXKFZTQBWNBH-UHFFFAOYSA-N
MW3973.56 g/mol
LogP67.91
Rot. Bonds48

About 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene

4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene (PubChem CID 158336666) has the molecular formula C232H381N23O6S12 and a molecular weight of 3973.56 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
PubChem CID158336666
Molecular FormulaC232H381N23O6S12
Molecular Weight3973.56 g/mol
Exact Mass3969.69
IUPAC Name4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CC2CCCN2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1nc(CN2CCC2)cs1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1ncc(CN2CCC2)s1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncns1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C15H23NO.C14H21NO.2C14H21N.2C13H20O2.2C12H20N2S.2C10H16N2S.C10H14.2C9H12.C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.2C6H9NS.C5H8N2S.11CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)13-6-3-5-12(9-13)10-14-7-4-8-15-14;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-8(2)10-11-9(7-13-10)6-12-4-3-5-12;1-8(2)10-11-6-9(13-10)7-12-4-3-5-12;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;;;;;;;;;/h3-6,13H,7-12H2,1-2H3;3-6,12H,7-11H2,1-2H3;3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;9-10H,3-8H2,1-2H3;8,10H,3-7,9H2,1-2H3;7-8H,3-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;4-8H,1-3H3;2*3-8H,1-2H3;3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;11*1H4
InChIKeyGQQXKFZTQBWNBH-UHFFFAOYSA-N
XLogP67.91
TPSA304.91 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms273
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003973.56
LogP ≤ 567.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?
The IUPAC name of 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene (CID 158336666) is 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene is C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=CCC=N1.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(CN2CCCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CC2CCCN2)c1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1nc(CN2CCC2)cs1.CC(C)c1nc(CN2CCCCC2)cs1.CC(C)c1ncc(CN2CCC2)s1.CC(C)c1ncc(CN2CCCCC2)s1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1ncns1.CCC(O)COc1ccc(C(C)C)cc1.CCC(O)COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(C(C)C)s1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.Cc1nnc(C(C)C)s1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?
The InChIKey is GQQXKFZTQBWNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C14H21NO.2C14H21N.2C13H20O2.2C12H20N2S.2C10H16N2S.C10H14.2C9H12.C8H11N.3C7H11NS.C7H11N.C7H10S.C6H10N2S.2C6H9NS.C5H8N2S.11CH4/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-11(2)13-6-3-5-12(9-13)10-14-7-4-8-15-14;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15;1-4-12(14)9-15-13-7-5-11(6-8-13)10(2)3;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-10(2)12-13-11(9-15-12)8-14-6-4-3-5-7-14;1-10(2)12-13-8-11(15-12)9-14-6-4-3-5-7-14;1-8(2)10-11-9(7-13-10)6-12-4-3-5-12;1-8(2)10-11-6-9(13-10)7-12-4-3-5-12;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;;;;;;;;;/h3-6,13H,7-12H2,1-2H3;3-6,12H,7-11H2,1-2H3;3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3;5-8,12H,3-4,9-11H2,1-2H3;2*5-8,10,12,14H,4,9H2,1-3H3;9-10H,3-8H2,1-2H3;8,10H,3-7,9H2,1-2H3;7-8H,3-6H2,1-2H3;6,8H,3-5,7H2,1-2H3;4-8H,1-3H3;2*3-8H,1-2H3;3-7H,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;11*1H4.
What are the key properties of 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene?
4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene has a molecular weight of 3973.56 g/mol, XLogP of 67.91, 48 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(azetidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;cumene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;1-(3-propan-2-ylphenoxy)butan-2-ol;1-(4-propan-2-ylphenoxy)butan-2-ol;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-[(4-propan-2-ylphenyl)methyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-[(3-propan-2-ylphenyl)methyl]pyrrolidine;3-propan-2-ylpyridine;5-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene is sourced from PubChem (CID 158336666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).