2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide

C164H146F3N17O34S10 — CID 167667840

IUPAC2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide
SMILESC=C(O)c1cc2sc(N(C)C(=O)c3ccc(F)cc3)cc2oc1=O.C=C(O)c1cc2sc(N(C)C(=O)c3cccc(C)c3)cc2oc1=O.C=C(O)c1cc2sc(N(C)CC3CCCCC3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3ccc(F)cc3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccc(C)c3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccc(C)c3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3ccccc3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccnc3)nc2oc1=O.C=C(O)c1cc2sc(NC(=O)C3CCCCC3)cc2oc1=O.C=C(O)c1cc2sc(NC(=O)c3ccc(F)cc3)cc2oc1=O
InChIInChI=1S/C18H15NO4S.C17H12FNO4S.2C17H16N2O3S.C16H13FN2O3S.C16H10FNO4S.C16H20N2O3S.C16H14N2O3S.C16H17NO4S.C15H13N3O3S/c1-10-5-4-6-12(7-10)17(21)19(3)16-9-14-15(24-16)8-13(11(2)20)18(22)23-14;1-9(20)12-7-14-13(23-17(12)22)8-15(24-14)19(2)16(21)10-3-5-11(18)6-4-10;2*1-10-5-4-6-12(7-10)9-19(3)17-18-15-14(23-17)8-13(11(2)20)16(21)22-15;1-9(20)12-7-13-14(22-15(12)21)18-16(23-13)19(2)8-10-3-5-11(17)6-4-10;1-8(19)11-6-13-12(22-16(11)21)7-14(23-13)18-15(20)9-2-4-10(17)5-3-9;2*1-10(19)12-8-13-14(21-15(12)20)17-16(22-13)18(2)9-11-6-4-3-5-7-11;1-9(18)11-7-13-12(21-16(11)20)8-14(22-13)17-15(19)10-5-3-2-4-6-10;1-9(19)11-6-12-13(21-14(11)20)17-15(22-12)18(2)8-10-4-3-5-16-7-10/h4-9,20H,2H2,1,3H3;3-8,20H,1H2,2H3;2*4-8,20H,2,9H2,1,3H3;3-7,20H,1,8H2,2H3;2-7,19H,1H2,(H,18,20);8,11,19H,1,3-7,9H2,2H3;3-8,19H,1,9H2,2H3;7-8,10,18H,1-6H2,(H,17,19);3-7,19H,1,8H2,2H3
InChIKeySWYMDAWATSRZQK-UHFFFAOYSA-N
MW3276.72 g/mol
LogP36.46
Rot. Bonds36

About 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide

2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide (PubChem CID 167667840) has the molecular formula C164H146F3N17O34S10 and a molecular weight of 3276.72 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide
PubChem CID167667840
Molecular FormulaC164H146F3N17O34S10
Molecular Weight3276.72 g/mol
Exact Mass3273.74
IUPAC Name2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide
SMILESC=C(O)c1cc2sc(N(C)C(=O)c3ccc(F)cc3)cc2oc1=O.C=C(O)c1cc2sc(N(C)C(=O)c3cccc(C)c3)cc2oc1=O.C=C(O)c1cc2sc(N(C)CC3CCCCC3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3ccc(F)cc3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccc(C)c3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccc(C)c3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3ccccc3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccnc3)nc2oc1=O.C=C(O)c1cc2sc(NC(=O)C3CCCCC3)cc2oc1=O.C=C(O)c1cc2sc(NC(=O)c3ccc(F)cc3)cc2oc1=O
InChIInChI=1S/C18H15NO4S.C17H12FNO4S.2C17H16N2O3S.C16H13FN2O3S.C16H10FNO4S.C16H20N2O3S.C16H14N2O3S.C16H17NO4S.C15H13N3O3S/c1-10-5-4-6-12(7-10)17(21)19(3)16-9-14-15(24-16)8-13(11(2)20)18(22)23-14;1-9(20)12-7-14-13(23-17(12)22)8-15(24-14)19(2)16(21)10-3-5-11(18)6-4-10;2*1-10-5-4-6-12(7-10)9-19(3)17-18-15-14(23-17)8-13(11(2)20)16(21)22-15;1-9(20)12-7-13-14(22-15(12)21)18-16(23-13)19(2)8-10-3-5-11(17)6-4-10;1-8(19)11-6-13-12(22-16(11)21)7-14(23-13)18-15(20)9-2-4-10(17)5-3-9;2*1-10(19)12-8-13-14(21-15(12)20)17-16(22-13)18(2)9-11-6-4-3-5-7-11;1-9(18)11-7-13-12(21-16(11)20)8-14(22-13)17-15(19)10-5-3-2-4-6-10;1-9(19)11-6-12-13(21-14(11)20)17-15(22-12)18(2)8-10-4-3-5-16-7-10/h4-9,20H,2H2,1,3H3;3-8,20H,1H2,2H3;2*4-8,20H,2,9H2,1,3H3;3-7,20H,1,8H2,2H3;2-7,19H,1H2,(H,18,20);8,11,19H,1,3-7,9H2,2H3;3-8,19H,1,9H2,2H3;7-8,10,18H,1-6H2,(H,17,19);3-7,19H,1,8H2,2H3
InChIKeySWYMDAWATSRZQK-UHFFFAOYSA-N
XLogP36.46
TPSA712.89 Ų
H-Bond Donors12
H-Bond Acceptors57
Rotatable Bonds36
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003276.72
LogP ≤ 536.46
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide with MolForge

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Related Compounds

[2-[[4-(tert-butylsulfinylmethyl)-1,3-thiazol-2-yl]carbamoyl]-3,4,5,6-tetradeuteriophenyl] 4-oxo-6-pyridin-4-ylhexanoate;[2,4-difluoro-6-[[4-(methylsulfinylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] N-ethyl-N-[2-[ethyl(pyridin-4-ylmethyl)amino]ethyl]carbamate;[2-[(4-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(4-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-3-methyl-N-(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate
CID 160760461

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide?
The IUPAC name of 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide (CID 167667840) is 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide is C=C(O)c1cc2sc(N(C)C(=O)c3ccc(F)cc3)cc2oc1=O.C=C(O)c1cc2sc(N(C)C(=O)c3cccc(C)c3)cc2oc1=O.C=C(O)c1cc2sc(N(C)CC3CCCCC3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3ccc(F)cc3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccc(C)c3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccc(C)c3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3ccccc3)nc2oc1=O.C=C(O)c1cc2sc(N(C)Cc3cccnc3)nc2oc1=O.C=C(O)c1cc2sc(NC(=O)C3CCCCC3)cc2oc1=O.C=C(O)c1cc2sc(NC(=O)c3ccc(F)cc3)cc2oc1=O.
What is the InChIKey of 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide?
The InChIKey is SWYMDAWATSRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S.C17H12FNO4S.2C17H16N2O3S.C16H13FN2O3S.C16H10FNO4S.C16H20N2O3S.C16H14N2O3S.C16H17NO4S.C15H13N3O3S/c1-10-5-4-6-12(7-10)17(21)19(3)16-9-14-15(24-16)8-13(11(2)20)18(22)23-14;1-9(20)12-7-14-13(23-17(12)22)8-15(24-14)19(2)16(21)10-3-5-11(18)6-4-10;2*1-10-5-4-6-12(7-10)9-19(3)17-18-15-14(23-17)8-13(11(2)20)16(21)22-15;1-9(20)12-7-13-14(22-15(12)21)18-16(23-13)19(2)8-10-3-5-11(17)6-4-10;1-8(19)11-6-13-12(22-16(11)21)7-14(23-13)18-15(20)9-2-4-10(17)5-3-9;2*1-10(19)12-8-13-14(21-15(12)20)17-16(22-13)18(2)9-11-6-4-3-5-7-11;1-9(18)11-7-13-12(21-16(11)20)8-14(22-13)17-15(19)10-5-3-2-4-6-10;1-9(19)11-6-12-13(21-14(11)20)17-15(22-12)18(2)8-10-4-3-5-16-7-10/h4-9,20H,2H2,1,3H3;3-8,20H,1H2,2H3;2*4-8,20H,2,9H2,1,3H3;3-7,20H,1,8H2,2H3;2-7,19H,1H2,(H,18,20);8,11,19H,1,3-7,9H2,2H3;3-8,19H,1,9H2,2H3;7-8,10,18H,1-6H2,(H,17,19);3-7,19H,1,8H2,2H3.
What are the key properties of 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide?
2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide has a molecular weight of 3276.72 g/mol, XLogP of 36.46, 36 rotatable bonds, 12 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;2-[cyclohexylmethyl(methyl)amino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]benzamide;4-fluoro-N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N-methylbenzamide;2-[(4-fluorophenyl)methyl-methylamino]-6-(1-hydroxyethenyl)pyrano[2,3-d][1,3]thiazol-5-one;bis(6-(1-hydroxyethenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]pyrano[2,3-d][1,3]thiazol-5-one);6-(1-hydroxyethenyl)-2-[methyl(pyridin-3-ylmethyl)amino]pyrano[2,3-d][1,3]thiazol-5-one;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]cyclohexanecarboxamide;N-[6-(1-hydroxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-N,3-dimethylbenzamide is sourced from PubChem (CID 167667840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).