4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole

C186H247Cl2FN42O8S4 — CID 157313408

About 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole

4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole (PubChem CID 157313408) has the molecular formula C186H247Cl2FN42O8S4 and a molecular weight of 3417.48 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
• PubChem CID: 157313408
• Molecular Formula: C186H247Cl2FN42O8S4
• Molecular Weight: 3417.48 g/mol
• Exact Mass: 3413.85
• IUPAC Name: 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
• SMILES: CC1=Cc2ccccc2C1.CC1CCCOC1.CC1CN2CCC1C2.CC1CNCCN1.CC1CNCCO1.CN1CCCCC1.COc1ccc(C)cn1.Cc1[nH]cnc1C(=O)O.Cc1c[nH]c2ccc(F)cc12.Cc1cc(C)n(C)n1.Cc1cc(Cl)no1.Cc1ccc(Cl)nc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn2ccccc2n1.Cc1cnc(C)[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1csc(C)n1.Cc1cscn1.Cc1nc(-c2ccccc2)no1.Cc1nc(C(C)(C)C)cs1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccn1C
• InChI: InChI=1S/C10H10.C9H8FN.C9H8N2O.C8H8N2.C8H7NS.C8H13NS.C7H9NO.C7H13N.C6H6ClN.C6H10N2.3C6H7N.C6H13N.C6H7N.C6H12O.C5H6N2O2.C5H6N2.2C5H8N2.C5H12N2.5C5H6N2.C5H11NO.C5H7NS.C4H4ClNO.C4H5NO.C4H5NS/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-6-10-5-3-2-4-8(10)9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-6-9-7(5-10-6)8(2,3)4;1-6-3-4-7(9-2)8-5-6;1-6-4-8-3-2-7(6)5-8;1-5-2-3-6(7)8-4-5;1-5-4-6(2)8(3)7-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;1-3-4(5(8)9)7-2-6-3;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-4-6-2-3-7-5;1-4-3-7-5(2)6-4;1-3-2-4(5)6-7-3;1-4-2-5-3-6-4;1-4-2-6-3-5-4/h2-6H,7H2,1H3;2-5,11H,1H3;2-6H,1H3;2-6H,1H3;2-5H,1H3;5H,1-4H3;3-5H,1-2H3;6-7H,2-5H2,1H3;2-4H,1H3;4H,1-3H3;3*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2H,1H3,(H,6,7)(H,8,9);2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);5-7H,2-4H2,1H3;5*2-4H,1H3;5-6H,2-4H2,1H3;3H,1-2H3;2H,1H3;2*2-3H,1H3
• InChIKey: BDHLRGGODJGJPG-UHFFFAOYSA-N
• XLogP: 40.11
• TPSA: 608.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 50
• Rotatable Bonds: 3
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3417.48
LogP ≤ 5	40.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

The IUPAC name of 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole (CID 157313408) is 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole.

What is the SMILES notation for 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

The canonical SMILES for 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole is CC1=Cc2ccccc2C1.CC1CCCOC1.CC1CN2CCC1C2.CC1CNCCN1.CC1CNCCO1.CN1CCCCC1.COc1ccc(C)cn1.Cc1[nH]cnc1C(=O)O.Cc1c[nH]c2ccc(F)cc12.Cc1cc(C)n(C)n1.Cc1cc(Cl)no1.Cc1ccc(Cl)nc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn2ccccc2n1.Cc1cnc(C)[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1csc(C)n1.Cc1cscn1.Cc1nc(-c2ccccc2)no1.Cc1nc(C(C)(C)C)cs1.Cc1nc2ccccc2s1.Cc1ncccn1.Cc1nccn1C.

What is the InChIKey of 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

The InChIKey is BDHLRGGODJGJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C9H8FN.C9H8N2O.C8H8N2.C8H7NS.C8H13NS.C7H9NO.C7H13N.C6H6ClN.C6H10N2.3C6H7N.C6H13N.C6H7N.C6H12O.C5H6N2O2.C5H6N2.2C5H8N2.C5H12N2.5C5H6N2.C5H11NO.C5H7NS.C4H4ClNO.C4H5NO.C4H5NS/c1-8-6-9-4-2-3-5-10(9)7-8;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-6-10-5-3-2-4-8(10)9-7;1-6-9-7-4-2-3-5-8(7)10-6;1-6-9-7(5-10-6)8(2,3)4;1-6-3-4-7(9-2)8-5-6;1-6-4-8-3-2-7(6)5-8;1-5-2-3-6(7)8-4-5;1-5-4-6(2)8(3)7-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;1-3-4(5(8)9)7-2-6-3;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-4-3-6-5(2)7-4;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-4-6-2-3-7-5;1-4-3-7-5(2)6-4;1-3-2-4(5)6-7-3;1-4-2-5-3-6-4;1-4-2-6-3-5-4/h2-6H,7H2,1H3;2-5,11H,1H3;2-6H,1H3;2-6H,1H3;2-5H,1H3;5H,1-4H3;3-5H,1-2H3;6-7H,2-5H2,1H3;2-4H,1H3;4H,1-3H3;3*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2H,1H3,(H,6,7)(H,8,9);2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);5-7H,2-4H2,1H3;5*2-4H,1H3;5-6H,2-4H2,1H3;3H,1-2H3;2H,1H3;2*2-3H,1H3.

What are the key properties of 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole?

4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole has a molecular weight of 3417.48 g/mol, XLogP of 40.11, 3 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-methyl-1,3-thiazole;3-chloro-5-methyl-1,2-oxazole;2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;5-methyl-1H-imidazole-4-carboxylic acid;2-methyl-1H-indene;2-methylmorpholine;3-methyloxane;5-methyl-1,3-oxazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole is sourced from PubChem (CID 157313408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).