5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole

C117H149F9N20O6S3 — CID 160932835

IUPAC5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1nnc(C(F)(F)F)s1.Cc1cc(N2CCC2)cnc1C(C)C
InChIInChI=1S/C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C12H18N2.C11H12N2S.C11H12N2.C10H9F6N.C9H13NO2S.C6H7F3N2S/c1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-3(2)4-10-11-5(12-4)6(7,8)9/h3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;4-7H,1-3H3;3H,1-2H3
InChIKeySTMHGGPJBPFSSR-UHFFFAOYSA-N
MW2198.80 g/mol
LogP27.16
Rot. Bonds19

About 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole

5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 160932835) has the molecular formula C117H149F9N20O6S3 and a molecular weight of 2198.80 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID160932835
Molecular FormulaC117H149F9N20O6S3
Molecular Weight2198.80 g/mol
Exact Mass2197.10
IUPAC Name5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1nnc(C(F)(F)F)s1.Cc1cc(N2CCC2)cnc1C(C)C
InChIInChI=1S/C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C12H18N2.C11H12N2S.C11H12N2.C10H9F6N.C9H13NO2S.C6H7F3N2S/c1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-3(2)4-10-11-5(12-4)6(7,8)9/h3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;4-7H,1-3H3;3H,1-2H3
InChIKeySTMHGGPJBPFSSR-UHFFFAOYSA-N
XLogP27.16
TPSA301.55 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.80
LogP ≤ 527.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole with MolForge

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Related Compounds

4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157686031
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-[4-[4-methyl-5-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;5-methylsulfonyl-2-propan-2-ylpyridine;2-phenyl-5-propan-2-ylthiophene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 159598277
4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 160016136
4-tert-butyl-2-phenyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;2-(difluoromethyl)-4-propan-2-ylpyridine;4-(4,4-difluoropiperidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;6-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;5-fluoro-4-propan-2-ylquinoline;7-fluoro-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline;7-methyl-4-propan-2-ylquinoline;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-ylpyrimidin-4-yl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-ylquinoline
CID 161201178

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 160932835) is 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1nnc(C(F)(F)F)s1.Cc1cc(N2CCC2)cnc1C(C)C.
What is the InChIKey of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is STMHGGPJBPFSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C12H18N2.C11H12N2S.C11H12N2.C10H9F6N.C9H13NO2S.C6H7F3N2S/c1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-3(2)4-10-11-5(12-4)6(7,8)9/h3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;4-7H,1-3H3;3H,1-2H3.
What are the key properties of 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole?
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 2198.80 g/mol, XLogP of 27.16, 19 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 160932835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).