5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol

C174H258ClFN24O8S6 — CID 157318110

About 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol

5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol (PubChem CID 157318110) has the molecular formula C174H258ClFN24O8S6 and a molecular weight of 3060.99 g/mol. Its IUPAC name is 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

• Compound Name: 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol
• PubChem CID: 157318110
• Molecular Formula: C174H258ClFN24O8S6
• Molecular Weight: 3060.99 g/mol
• Exact Mass: 3057.85
• IUPAC Name: 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol
• SMILES: CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cc1.CC(C)c1cccc(N)c1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(NCCN(C)C)n1.CC(C)c1csc(NCCN2CCCCC2)n1.CC(C)c1nccs1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1
• InChI: InChI=1S/C13H23N3S.C10H19N3S.C9H13NO.5C9H13N.C9H12.C8H10ClN.C8H10FN.C8H12N2.C8H13NO2S2.C8H11NO.C8H11N.C7H10N2.C7H11NOS.2C7H10O.C6H9NO.C6H9NS/c1-11(2)12-10-17-13(15-12)14-6-9-16-7-4-3-5-8-16;1-8(2)9-7-14-10(12-9)11-5-6-13(3)4;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)6-4-10-7(3-9)8-6;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h10-11H,3-9H2,1-2H3,(H,14,15);7-8H,5-6H2,1-4H3,(H,11,12);4-7H,1-3H3;3*4-7H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);4,6H,5H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5,9H,3H2,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3
• InChIKey: BDVPXVPSVPTVHZ-UHFFFAOYSA-N
• XLogP: 47.43
• TPSA: 444.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3060.99
LogP ≤ 5	47.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol?

The IUPAC name of 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol (CID 157318110) is 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol.

What is the SMILES notation for 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol?

The canonical SMILES for 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol is CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N)cc1.CC(C)c1cccc(N)c1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1cocn1.CC(C)c1csc(CO)n1.CC(C)c1csc(CS(C)(=O)=O)n1.CC(C)c1csc(NCCN(C)C)n1.CC(C)c1csc(NCCN2CCCCC2)n1.CC(C)c1nccs1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.

What is the InChIKey of 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol?

The InChIKey is BDVPXVPSVPTVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.C10H19N3S.C9H13NO.5C9H13N.C9H12.C8H10ClN.C8H10FN.C8H12N2.C8H13NO2S2.C8H11NO.C8H11N.C7H10N2.C7H11NOS.2C7H10O.C6H9NO.C6H9NS/c1-11(2)12-10-17-13(15-12)14-6-9-16-7-4-3-5-8-16;1-8(2)9-7-14-10(12-9)11-5-6-13(3)4;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-12-8(9-7)5-13(3,10)11;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)6-4-10-7(3-9)8-6;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h10-11H,3-9H2,1-2H3,(H,14,15);7-8H,5-6H2,1-4H3,(H,11,12);4-7H,1-3H3;3*4-7H,1-3H3;2*3-7H,10H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);4,6H,5H2,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5,9H,3H2,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol?

5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 3060.99 g/mol, XLogP of 47.43, 33 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-propan-2-ylpyridine;cumene;N',N'-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)ethane-1,2-diamine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazole;1-oxido-2-propan-2-ylpyridin-1-ium;N-(2-piperidin-1-ylethyl)-4-propan-2-yl-1,3-thiazol-2-amine;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;(4-propan-2-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 157318110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).