4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

C134H102F2N18O10S4 — CID 164988898

IUPAC4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCC(F)(F)c1ccc2cc(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2c(C)c(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3coc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4cc[nH]c4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4cccn4C)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccco4)n3)oc2c1
InChIInChI=1S/C17H12F2N2OS.2C17H13N3O.C17H12N2O2.2C17H14N2OS.C16H12N2O2.C16H12N2OS/c1-17(18,19)11-5-4-10-7-15(22-14(10)8-11)13-9-23-16(21-13)12-3-2-6-20-12;2*1-11-4-5-12-10-16(21-15(12)9-11)17-19-8-6-14(20-17)13-3-2-7-18-13;1-11-4-5-12-10-16(21-15(12)9-11)17-18-7-6-13(19-17)14-3-2-8-20-14;1-11-5-6-12-9-16(20-15(12)8-11)13-10-21-17(18-13)14-4-3-7-19(14)2;1-10-5-6-12-11(2)16(20-15(12)8-10)14-9-21-17(19-14)13-4-3-7-18-13;1-10-4-5-11-8-15(20-14(11)7-10)13-9-19-16(18-13)12-3-2-6-17-12;1-10-2-3-11-7-15(19-14(11)6-10)13-9-20-16(18-13)12-4-5-17-8-12/h2-9,20H,1H3;2*2-10,18H,1H3;2-10H,1H3;3-10H,1-2H3;3-9,18H,1-2H3;2*2-9,17H,1H3
InChIKeyGOHTXJNDQZCIGC-UHFFFAOYSA-N
MW2290.67 g/mol
LogP37.80
Rot. Bonds17

About 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 164988898) has the molecular formula C134H102F2N18O10S4 and a molecular weight of 2290.67 g/mol. Its IUPAC name is 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID164988898
Molecular FormulaC134H102F2N18O10S4
Molecular Weight2290.67 g/mol
Exact Mass2288.69
IUPAC Name4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCC(F)(F)c1ccc2cc(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2c(C)c(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3coc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4cc[nH]c4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4cccn4C)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccco4)n3)oc2c1
InChIInChI=1S/C17H12F2N2OS.2C17H13N3O.C17H12N2O2.2C17H14N2OS.C16H12N2O2.C16H12N2OS/c1-17(18,19)11-5-4-10-7-15(22-14(10)8-11)13-9-23-16(21-13)12-3-2-6-20-12;2*1-11-4-5-12-10-16(21-15(12)9-11)17-19-8-6-14(20-17)13-3-2-7-18-13;1-11-4-5-12-10-16(21-15(12)9-11)17-18-7-6-13(19-17)14-3-2-8-20-14;1-11-5-6-12-9-16(20-15(12)8-11)13-10-21-17(18-13)14-4-3-7-19(14)2;1-10-5-6-12-11(2)16(20-15(12)8-10)14-9-21-17(19-14)13-4-3-7-18-13;1-10-4-5-11-8-15(20-14(11)7-10)13-9-19-16(18-13)12-3-2-6-17-12;1-10-2-3-11-7-15(19-14(11)6-10)13-9-20-16(18-13)12-4-5-17-8-12/h2-9,20H,1H3;2*2-10,18H,1H3;2-10H,1H3;3-10H,1-2H3;3-9,18H,1-2H3;2*2-9,17H,1H3
InChIKeyGOHTXJNDQZCIGC-UHFFFAOYSA-N
XLogP37.80
TPSA372.86 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002290.67
LogP ≤ 537.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-oxazol-4-yl]-3-methoxypyridin-2-amine;5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-thiazol-5-yl)pyrazin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
CID 157731774
CID 157886959
CID 157886959
(5Z)-5-[[2-[[4-[[2-(1-benzofuran-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[2-(1H-pyrrol-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 158216367
(2'R,4'S,4'aS)-2',4'-dimethyl-8'-[4-(1,3-oxazol-2-yl)-1,3-oxazol-2-yl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-2',4'-dimethyl-8'-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'S,4'S,4'aS)-10'-fluoro-8'-[3-(1H-imidazol-2-yl)propanoyl]-4'-methyl-2'-(trifluoromethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-(6-fluoro-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 158293483
CID 158397958
CID 158397958
5-[5-(4,4-difluoro-6,7-dihydro-5H-1,3-benzothiazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-5-[1-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrol-3-yl]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-oxo-1H-pyridin-3-yl]-1-benzofuran-3-carboxamide
CID 158535993
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
CID 159128539
CID 159128539
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
(5Z)-5-[[2-[4-[3-(1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-oxo-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160702119
CID 161081028
CID 161081028
1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 164988898) is 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is CC(F)(F)c1ccc2cc(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2c(C)c(-c3csc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3coc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4cc[nH]c4)n3)oc2c1.Cc1ccc2cc(-c3csc(-c4cccn4C)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccc[nH]4)n3)oc2c1.Cc1ccc2cc(-c3nccc(-c4ccco4)n3)oc2c1.
What is the InChIKey of 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is GOHTXJNDQZCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS.2C17H13N3O.C17H12N2O2.2C17H14N2OS.C16H12N2O2.C16H12N2OS/c1-17(18,19)11-5-4-10-7-15(22-14(10)8-11)13-9-23-16(21-13)12-3-2-6-20-12;2*1-11-4-5-12-10-16(21-15(12)9-11)17-19-8-6-14(20-17)13-3-2-7-18-13;1-11-4-5-12-10-16(21-15(12)9-11)17-18-7-6-13(19-17)14-3-2-8-20-14;1-11-5-6-12-9-16(20-15(12)8-11)13-10-21-17(18-13)14-4-3-7-19(14)2;1-10-5-6-12-11(2)16(20-15(12)8-10)14-9-21-17(19-14)13-4-3-7-18-13;1-10-4-5-11-8-15(20-14(11)7-10)13-9-19-16(18-13)12-3-2-6-17-12;1-10-2-3-11-7-15(19-14(11)6-10)13-9-20-16(18-13)12-4-5-17-8-12/h2-9,20H,1H3;2*2-10,18H,1H3;2-10H,1H3;3-10H,1-2H3;3-9,18H,1-2H3;2*2-9,17H,1H3.
What are the key properties of 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 2290.67 g/mol, XLogP of 37.80, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(3,6-dimethyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;4-(furan-2-yl)-2-(6-methyl-1-benzofuran-2-yl)pyrimidine;4-(6-methyl-1-benzofuran-2-yl)-2-(1-methylpyrrol-2-yl)-1,3-thiazole;4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-oxazole;bis(2-(6-methyl-1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)pyrimidine);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 164988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).