2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
C142H224F3N11O6S3 — CID 158632441
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESC.C.C.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCOCC2)c1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C
InChIInChI=1S/C17H24F3NO.2C16H25NO.C12H18N2O.C12H20N2S.C10H14O2S.2C10H14.2C9H13N.C8H13NS.C8H11N.5CH4/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;;;;;/h6-7,12-13H,3-5,8-11H2,1-2H3;4-5,8-9,14H,3,6-7,10-13H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;5H,1-4H3;3-7H,1-2H3;5*1H4
InChIKeyHZJBRWJZSBBGAY-UHFFFAOYSA-N
MW2334.62 g/mol
LogP39.40
Rot. Bonds27
About 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 158632441) has the molecular formula C142H224F3N11O6S3 and a molecular weight of 2334.62 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine.
Molecular Properties
| Compound Name | 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine |
|---|---|
| PubChem CID | 158632441 |
| Molecular Formula | C142H224F3N11O6S3 |
| Molecular Weight | 2334.62 g/mol |
| Exact Mass | 2332.67 |
| IUPAC Name | 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine |
| SMILES | C.C.C.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCOCC2)c1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C |
| InChI | InChI=1S/C17H24F3NO.2C16H25NO.C12H18N2O.C12H20N2S.C10H14O2S.2C10H14.2C9H13N.C8H13NS.C8H11N.5CH4/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;;;;;/h6-7,12-13H,3-5,8-11H2,1-2H3;4-5,8-9,14H,3,6-7,10-13H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;5H,1-4H3;3-7H,1-2H3;5*1H4 |
| InChIKey | HZJBRWJZSBBGAY-UHFFFAOYSA-N |
| XLogP | 39.40 |
| TPSA | 164.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 165 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2334.62 |
| LogP ≤ 5 | 39.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 158632441) is 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine is C.C.C.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCOCC2)c1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is HZJBRWJZSBBGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO.2C16H25NO.C12H18N2O.C12H20N2S.C10H14O2S.2C10H14.2C9H13N.C8H13NS.C8H11N.5CH4/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;;;;;/h6-7,12-13H,3-5,8-11H2,1-2H3;4-5,8-9,14H,3,6-7,10-13H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;5H,1-4H3;3-7H,1-2H3;5*1H4.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 2334.62 g/mol, XLogP of 39.40, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methylsulfonyl-2-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 158632441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158632441 — identifiers, structure, computed properties (public domain)
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