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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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

C167H265F3N14O8S3 — CID 160594737

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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.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.C12H17NO.C11H16N2O.C10H14O2S.2C10H14.2C9H13N.C8H13NS.C8H11N.7CH4/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;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;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;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;5H,1-4H3;3-7H,1-2H3;7*1H4
InChIKeyRDMBZOPKKMRNKC-UHFFFAOYSA-N
MW2750.24 g/mol
LogP45.34
Rot. Bonds29

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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 160594737) has the molecular formula C167H265F3N14O8S3 and a molecular weight of 2750.24 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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 Name2,4-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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 CID160594737
Molecular FormulaC167H265F3N14O8S3
Molecular Weight2750.24 g/mol
Exact Mass2747.99
IUPAC Name2,4-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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.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.C12H17NO.C11H16N2O.C10H14O2S.2C10H14.2C9H13N.C8H13NS.C8H11N.7CH4/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;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;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;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;5H,1-4H3;3-7H,1-2H3;7*1H4
InChIKeyRDMBZOPKKMRNKC-UHFFFAOYSA-N
XLogP45.34
TPSA202.43 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002750.24
LogP ≤ 545.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 with MolForge

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Launch Full Analysis

Related Compounds

2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;2-(1-fluoroethyl)-4-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)morpholine;1-methylsulfonyl-2-propan-2-ylbenzene;2-piperidin-1-yl-4-propan-2-ylpyridine;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;3-propan-2-ylpyridine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 157841080
Cumene;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 158232089
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
1-cyclohexyloxy-3-propan-2-ylbenzene;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;methane;1-methoxy-2-propan-2-ylbenzene;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;(3R)-3-(3-propan-2-ylphenoxy)pyrrolidine;4-(3-propan-2-ylphenyl)pyridine
CID 161262790
Cumene;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;bis(1-methyl-3-propan-2-ylbenzene);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-propan-2-yl-2-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
CID 161399309
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;4-(4-propan-2-yl-2-pyridinyl)morpholine
CID 157634528
Cumene;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-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-4-propan-2-ylpyridine
CID 158203095
Cumene;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine
CID 158235826
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-methyl-5-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine
CID 159849006
CID 161321018
CID 161321018
4-Chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-2-(1-fluoroethyl)-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)morpholine;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;2-piperidin-1-yl-4-propan-2-ylpyridine;4-(3-propan-2-ylphenyl)morpholine;3-propan-2-ylpyridine
CID 161966291

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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 160594737) 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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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.C.C.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.CC(C)c1cccnc1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 RDMBZOPKKMRNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO.2C16H25NO.C12H18N2O.C12H20N2S.C12H17NO.C11H16N2O.C10H14O2S.2C10H14.2C9H13N.C8H13NS.C8H11N.7CH4/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;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;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;4-5,8-9H,6-7H2,1-3H3;6-8H,4-5H2,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;5H,1-4H3;3-7H,1-2H3;7*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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 2750.24 g/mol, XLogP of 45.34, 29 rotatable bonds, 0 hydrogen bond donors, and 24 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;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;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 160594737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).