3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal

C87H86F6N18O13S6 — CID 159380635

IUPAC3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal
SMILESCC(=O)Oc1ccc(-c2nc(CCC=O)cs2)cn1.CN(C)c1ccc(-c2nc(CCC=O)cs2)cn1.Cn1ccnc1CCC=O.O=CCCc1csc(-c2ccc(C(F)(F)F)nc2)n1.O=CCCc1csc(-c2ccc(OC(F)(F)F)nc2)n1.O=CCCc1ncc[nH]1.O=CCCc1ncco1.O=CCCc1nccs1.[C-]#[N+]c1ccc(-c2nc(CCC=O)cs2)cn1
InChIInChI=1S/C13H15N3OS.C13H12N2O3S.C12H9F3N2O2S.C12H9F3N2OS.C12H9N3OS.C7H10N2O.C6H8N2O.C6H7NO2.C6H7NOS/c1-16(2)12-6-5-10(8-14-12)13-15-11(9-18-13)4-3-7-17;1-9(17)18-12-5-4-10(7-14-12)13-15-11(8-19-13)3-2-6-16;13-12(14,15)19-10-4-3-8(6-16-10)11-17-9(7-20-11)2-1-5-18;13-12(14,15)10-4-3-8(6-16-10)11-17-9(7-19-11)2-1-5-18;1-13-11-5-4-9(7-14-11)12-15-10(8-17-12)3-2-6-16;1-9-5-4-8-7(9)3-2-6-10;9-5-1-2-6-7-3-4-8-6;2*8-4-1-2-6-7-3-5-9-6/h5-9H,3-4H2,1-2H3;4-8H,2-3H2,1H3;3-7H,1-2H2;3-7H,1-2H2;4-8H,2-3H2;4-6H,2-3H2,1H3;3-5H,1-2H2,(H,7,8);2*3-5H,1-2H2
InChIKeyLKVYZJJMFBVAFM-UHFFFAOYSA-N
MW1898.15 g/mol
LogP17.32
Rot. Bonds35

About 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal

3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal (PubChem CID 159380635) has the molecular formula C87H86F6N18O13S6 and a molecular weight of 1898.15 g/mol. Its IUPAC name is 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal.

Molecular Properties

Compound Name3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal
PubChem CID159380635
Molecular FormulaC87H86F6N18O13S6
Molecular Weight1898.15 g/mol
Exact Mass1896.49
IUPAC Name3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal
SMILESCC(=O)Oc1ccc(-c2nc(CCC=O)cs2)cn1.CN(C)c1ccc(-c2nc(CCC=O)cs2)cn1.Cn1ccnc1CCC=O.O=CCCc1csc(-c2ccc(C(F)(F)F)nc2)n1.O=CCCc1csc(-c2ccc(OC(F)(F)F)nc2)n1.O=CCCc1ncc[nH]1.O=CCCc1ncco1.O=CCCc1nccs1.[C-]#[N+]c1ccc(-c2nc(CCC=O)cs2)cn1
InChIInChI=1S/C13H15N3OS.C13H12N2O3S.C12H9F3N2O2S.C12H9F3N2OS.C12H9N3OS.C7H10N2O.C6H8N2O.C6H7NO2.C6H7NOS/c1-16(2)12-6-5-10(8-14-12)13-15-11(9-18-13)4-3-7-17;1-9(17)18-12-5-4-10(7-14-12)13-15-11(8-19-13)3-2-6-16;13-12(14,15)19-10-4-3-8(6-16-10)11-17-9(7-20-11)2-1-5-18;13-12(14,15)10-4-3-8(6-16-10)11-17-9(7-19-11)2-1-5-18;1-13-11-5-4-9(7-14-11)12-15-10(8-17-12)3-2-6-16;1-9-5-4-8-7(9)3-2-6-10;9-5-1-2-6-7-3-4-8-6;2*8-4-1-2-6-7-3-5-9-6/h5-9H,3-4H2,1-2H3;4-8H,2-3H2,1H3;3-7H,1-2H2;3-7H,1-2H2;4-8H,2-3H2;4-6H,2-3H2,1H3;3-5H,1-2H2,(H,7,8);2*3-5H,1-2H2
InChIKeyLKVYZJJMFBVAFM-UHFFFAOYSA-N
XLogP17.32
TPSA411.08 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.15
LogP ≤ 517.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine;2-(6-isocyano-3-pyridinyl)-4-methyl-1,3-thiazole;methyl 5-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate;2-methyl-1,3-oxazole;5-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylic acid;4-methyl-2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazole;4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 162034988
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778
carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943
bis(3-tert-butylfuran);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157435254
2-tert-butyl-1,3-diazinane;2-tert-butylfuran;1-tert-butylimidazole;3-tert-butylmorpholine;4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidine;4-tert-butylpiperidine;3-tert-butyl-2H-pyran;4-tert-butyl-4H-pyran;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butylpyrrolidine;3-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butyl-2H-thiopyran;4-tert-butyl-4H-thiopyran
CID 158126444
1-tert-butylimidazole;1-tert-butylpyrrolidine;N'-cyclohexyl-N-methylpropane-1,3-diamine;ethane;1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine;3-(methoxymethyl)thiophene;1-[3-(methylamino)propyl]pyrrolidin-2-one;N-methyl-2-(1-methylpyrrolidin-2-yl)ethanamine;N-methyl-3-morpholin-4-ium-4-ylpropan-1-amine;N-methyl-1-phenylmethanamine;N-methyl-2-piperidin-1-ylethanamine;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-2-pyrrolidin-1-ylethanamine;methyl 1,3-thiazole-4-carboxylate;methyl thiophene-3-carboxylate;N-methyl-1-thiophen-2-ylmethanamine
CID 158142730
cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)
CID 158260533
benzene;furo[2,3-b]pyridine;1H-imidazo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine
CID 159033393
2-[(E)-2-(furan-2-yl)ethenyl]furan;1-methyl-2-[(E)-prop-1-enyl]imidazole;2-[(E)-2-(1,3-oxazol-2-yl)ethenyl]-1,3-oxazole;2-[(E)-2-pyrazin-2-ylethenyl]pyrazine;4-[(E)-2-pyridin-4-ylethenyl]pyridine;2-[(E)-2-pyrimidin-2-ylethenyl]pyrimidine;(E)-stilbene;2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,3-thiazole;2-[(E)-2-thiophen-2-ylethenyl]thiophene;2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3,5-triazine
CID 159160289
4,5-dimethylcyclohexa-2,4-dien-1-one;(2S,3R)-2,3-dimethyl-1,4-dioxane;(4R,5S)-4,5-dimethyl-1,3-dioxolane;2,3-dimethylfuran;(2R,3S)-2,3-dimethylmorpholine;(5S,6R)-5,6-dimethylmorpholin-3-one;(2S,3S)-2,3-dimethyloxane;(3S,4S)-3,4-dimethyloxane;4,5-dimethyl-1,3-oxazole;(2S,3S)-2,3-dimethyloxolane;(4S,5S)-4,5-dimethyloxolan-2-one;4,5-dimethylpyran-2-one;5,6-dimethylpyran-2-one;2,3-dimethylpyrazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-3H-pyrrole;(2S,3S)-2,3-dimethylpyrrolidine;(2S,3S)-2,3-dimethylthiane;(3S,4S)-3,4-dimethylthiane;4,5-dimethyl-1,3-thiazole;(2S,3S)-2,3-dimethylthiolane;2,3-dimethylthiophene
CID 159945063
4-[2-[2,7-Bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(5-thiophen-3-ylpyrimidin-2-yl)-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(platinum(2+))
CID 160042961
1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1,3-oxazol-2-yl)-N,N-bis(1,3-oxazol-2-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-pyrazin-2-yl-N,N-bis(pyrazin-2-ylmethyl)methanamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyrimidin-2-yl-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-pyrimidin-4-yl-N,N-bis(pyrimidin-4-ylmethyl)methanamine;1-(3H-pyrrol-2-yl)-N,N-bis(3H-pyrrol-2-ylmethyl)methanamine;1-(1,3-thiazol-2-yl)-N,N-bis(1,3-thiazol-2-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine;1-(1,3,5-triazin-2-yl)-N,N-bis(1,3,5-triazin-2-ylmethyl)methanamine
CID 160557967

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal?
The IUPAC name of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal (CID 159380635) is 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal.
What is the SMILES notation for 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal?
The canonical SMILES for 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal is CC(=O)Oc1ccc(-c2nc(CCC=O)cs2)cn1.CN(C)c1ccc(-c2nc(CCC=O)cs2)cn1.Cn1ccnc1CCC=O.O=CCCc1csc(-c2ccc(C(F)(F)F)nc2)n1.O=CCCc1csc(-c2ccc(OC(F)(F)F)nc2)n1.O=CCCc1ncc[nH]1.O=CCCc1ncco1.O=CCCc1nccs1.[C-]#[N+]c1ccc(-c2nc(CCC=O)cs2)cn1.
What is the InChIKey of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal?
The InChIKey is LKVYZJJMFBVAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS.C13H12N2O3S.C12H9F3N2O2S.C12H9F3N2OS.C12H9N3OS.C7H10N2O.C6H8N2O.C6H7NO2.C6H7NOS/c1-16(2)12-6-5-10(8-14-12)13-15-11(9-18-13)4-3-7-17;1-9(17)18-12-5-4-10(7-14-12)13-15-11(8-19-13)3-2-6-16;13-12(14,15)19-10-4-3-8(6-16-10)11-17-9(7-20-11)2-1-5-18;13-12(14,15)10-4-3-8(6-16-10)11-17-9(7-19-11)2-1-5-18;1-13-11-5-4-9(7-14-11)12-15-10(8-17-12)3-2-6-16;1-9-5-4-8-7(9)3-2-6-10;9-5-1-2-6-7-3-4-8-6;2*8-4-1-2-6-7-3-5-9-6/h5-9H,3-4H2,1-2H3;4-8H,2-3H2,1H3;3-7H,1-2H2;3-7H,1-2H2;4-8H,2-3H2;4-6H,2-3H2,1H3;3-5H,1-2H2,(H,7,8);2*3-5H,1-2H2.
What are the key properties of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal?
3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal has a molecular weight of 1898.15 g/mol, XLogP of 17.32, 35 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-(1H-imidazol-2-yl)propanal;3-[2-(6-isocyano-3-pyridinyl)-1,3-thiazol-4-yl]propanal;3-(1-methylimidazol-2-yl)propanal;3-(1,3-oxazol-2-yl)propanal;[5-[4-(3-oxopropyl)-1,3-thiazol-2-yl]-2-pyridinyl] acetate;3-(1,3-thiazol-2-yl)propanal;3-[2-[6-(trifluoromethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]propanal;3-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]propanal is sourced from PubChem (CID 159380635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).