4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine

C140H156FN15O9S5 — CID 159746143

IUPAC4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine
SMILESCC(C)(C)c1cnc(-c2ccco2)s1.CC(C)(C)c1csc(-c2ccco2)n1.CC(C)c1cc(-c2ccco2)ccn1.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc(-c2ccco2)ncn1.CC(C)c1cc(-c2ccco2)on1.CC(C)c1cncc(-c2ccco2)c1.CC(C)c1cncc(-c2ccncc2)c1.CC(C)c1csc(-c2ccc(F)cc2)n1.CC(C)c1csc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)sc1C(C)C.Cc1oc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C13H14N2.C13H15NO.C13H15NS.C12H12FNS.2C12H13NO.C12H13NS.C11H12N2O.2C11H13NOS.C10H12N2O.C10H11NO2/c1-10(2)12-7-13(9-15-8-12)11-3-5-14-6-4-11;1-9(2)12-10(3)15-13(14-12)11-7-5-4-6-8-11;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9;1-9(2)11-8-10(5-6-13-11)12-4-3-7-14-12;1-9(2)10-6-11(8-13-7-10)12-4-3-5-14-12;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-8(2)9-6-10(13-7-12-9)11-4-3-5-14-11;1-11(2,3)9-7-14-10(12-9)8-5-4-6-13-8;1-11(2,3)9-7-12-10(14-9)8-5-4-6-13-8;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-6-10(13-11-8)9-4-3-5-12-9/h3-10H,1-2H3;2*4-9H,1-3H3;3-8H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyNDBKOKKQXMXMDE-UHFFFAOYSA-N
MW2372.22 g/mol
LogP42.33
Rot. Bonds22

About 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine

4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine (PubChem CID 159746143) has the molecular formula C140H156FN15O9S5 and a molecular weight of 2372.22 g/mol. Its IUPAC name is 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine
PubChem CID159746143
Molecular FormulaC140H156FN15O9S5
Molecular Weight2372.22 g/mol
Exact Mass2370.08
IUPAC Name4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine
SMILESCC(C)(C)c1cnc(-c2ccco2)s1.CC(C)(C)c1csc(-c2ccco2)n1.CC(C)c1cc(-c2ccco2)ccn1.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc(-c2ccco2)ncn1.CC(C)c1cc(-c2ccco2)on1.CC(C)c1cncc(-c2ccco2)c1.CC(C)c1cncc(-c2ccncc2)c1.CC(C)c1csc(-c2ccc(F)cc2)n1.CC(C)c1csc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)sc1C(C)C.Cc1oc(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C13H14N2.C13H15NO.C13H15NS.C12H12FNS.2C12H13NO.C12H13NS.C11H12N2O.2C11H13NOS.C10H12N2O.C10H11NO2/c1-10(2)12-7-13(9-15-8-12)11-3-5-14-6-4-11;1-9(2)12-10(3)15-13(14-12)11-7-5-4-6-8-11;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9;1-9(2)11-8-10(5-6-13-11)12-4-3-7-14-12;1-9(2)10-6-11(8-13-7-10)12-4-3-5-14-12;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-8(2)9-6-10(13-7-12-9)11-4-3-5-14-11;1-11(2,3)9-7-14-10(12-9)8-5-4-6-13-8;1-11(2,3)9-7-12-10(14-9)8-5-4-6-13-8;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-6-10(13-11-8)9-4-3-5-12-9/h3-10H,1-2H3;2*4-9H,1-3H3;3-8H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyNDBKOKKQXMXMDE-UHFFFAOYSA-N
XLogP42.33
TPSA314.51 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002372.22
LogP ≤ 542.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)-1,3-thiazole-2-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 158505355
1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one
CID 158989575
CID 160278972
CID 160278972
2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one;2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methyl-3-pyridinyl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 160720950
CID 161331998
CID 161331998
CID 161434547
CID 161434547
2-amino-5-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,2-oxazol-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161678967
4-[1-[5-[4-[5-[2-[3-[4-(oxadiazol-4-yl)-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1H-pyrrol-3-yl]tetrazol-1-yl]thiadiazol-5-yl]-1H-triazol-4-yl]pyrrolidin-2-yl]-3-[3-[2-[4-[3-[2-[4-[3-[2-[[4-[4-[4-(1,2-thiazol-3-yl)-1,2-oxazol-3-yl]-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]furan-2-yl]pyridazin-3-yl]piperazin-1-yl]pyrazin-2-yl]pyrimidin-2-yl]piperidin-1-yl]-2-pyridinyl]morpholine
CID 91803295
4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
CID 123454194
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine
CID 141231315
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine?
The IUPAC name of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine (CID 159746143) is 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine.
What is the SMILES notation for 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine?
The canonical SMILES for 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine is CC(C)(C)c1cnc(-c2ccco2)s1.CC(C)(C)c1csc(-c2ccco2)n1.CC(C)c1cc(-c2ccco2)ccn1.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc(-c2ccco2)ncn1.CC(C)c1cc(-c2ccco2)on1.CC(C)c1cncc(-c2ccco2)c1.CC(C)c1cncc(-c2ccncc2)c1.CC(C)c1csc(-c2ccc(F)cc2)n1.CC(C)c1csc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)sc1C(C)C.Cc1oc(-c2ccccc2)nc1C(C)C.
What is the InChIKey of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine?
The InChIKey is NDBKOKKQXMXMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C13H15NO.C13H15NS.C12H12FNS.2C12H13NO.C12H13NS.C11H12N2O.2C11H13NOS.C10H12N2O.C10H11NO2/c1-10(2)12-7-13(9-15-8-12)11-3-5-14-6-4-11;1-9(2)12-10(3)15-13(14-12)11-7-5-4-6-8-11;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9;1-9(2)11-8-10(5-6-13-11)12-4-3-7-14-12;1-9(2)10-6-11(8-13-7-10)12-4-3-5-14-12;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-8(2)9-6-10(13-7-12-9)11-4-3-5-14-11;1-11(2,3)9-7-14-10(12-9)8-5-4-6-13-8;1-11(2,3)9-7-12-10(14-9)8-5-4-6-13-8;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-6-10(13-11-8)9-4-3-5-12-9/h3-10H,1-2H3;2*4-9H,1-3H3;3-8H,1-2H3;3*3-9H,1-2H3;3-8H,1-2H3;2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3.
What are the key properties of 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine?
4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine has a molecular weight of 2372.22 g/mol, XLogP of 42.33, 22 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine is sourced from PubChem (CID 159746143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).