1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole

C198H289Cl2F3N30O5S3 — CID 159568115

About 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole

1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 159568115) has the molecular formula C198H289Cl2F3N30O5S3 and a molecular weight of 3393.80 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
• PubChem CID: 159568115
• Molecular Formula: C198H289Cl2F3N30O5S3
• Molecular Weight: 3393.80 g/mol
• Exact Mass: 3390.18
• IUPAC Name: 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
• SMILES: CC(C)C1=NCC=C1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1N1CCOCC1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncc(C(F)(F)F)s1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncno1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)cn1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1
• InChI: InChI=1S/C14H21N.C13H20N2.3C12H18N2O.C9H11Cl.2C9H13N.C9H12.C8H10ClN.C8H14N2.3C8H11N.C7H8F3NS.2C7H10N2.2C7H11NS.C7H11N.C6H10N2.C6H9NO.C5H8N2O/c1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-13-12(11)14-6-8-15-9-7-14;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-4(2)6-11-3-5(12-6)7(8,9)10;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;2*3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-4H,1-2H3;2*3-6H,1-2H3;2*4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
• InChIKey: MHLQDUNVKQWDSQ-UHFFFAOYSA-N
• XLogP: 53.56
• TPSA: 386.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3393.80
LogP ≤ 5	53.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

The IUPAC name of 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole (CID 159568115) is 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole.

What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole is CC(C)C1=NCC=C1.CC(C)c1ccc(N2CCCCC2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1N1CCCCC1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1N1CCOCC1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncc(C(F)(F)F)s1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncno1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)n(C)n1.Cc1ccc(C(C)C)cn1.Cc1csc(C(C)C)n1.Cc1ncc(C(C)C)s1.

What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

The InChIKey is MHLQDUNVKQWDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H20N2.3C12H18N2O.C9H11Cl.2C9H13N.C9H12.C8H10ClN.C8H14N2.3C8H11N.C7H8F3NS.2C7H10N2.2C7H11NS.C7H11N.C6H10N2.C6H9NO.C5H8N2O/c1-12(2)13-8-4-5-9-14(13)15-10-6-3-7-11-15;1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-13-12(11)14-6-8-15-9-7-14;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-5-7(3)9-10(8)4;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-4(2)6-11-3-5(12-6)7(8,9)10;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;6-7,10-11H,3-5,8-9H2,1-2H3;2*3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-4H,1-2H3;2*3-6H,1-2H3;2*4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole?

1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 3393.80 g/mol, XLogP of 53.56, 28 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;cumene;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 159568115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).