[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one

C156H228N46O46S9 — CID 167599876

About [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one

[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 167599876) has the molecular formula C156H228N46O46S9 and a molecular weight of 3772.42 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one
• PubChem CID: 167599876
• Molecular Formula: C156H228N46O46S9
• Molecular Weight: 3772.42 g/mol
• Exact Mass: 3769.44
• IUPAC Name: [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one
• SMILES: C=C1Sc2c(N(C)C)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(N3CCCC3)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(NC3CC3)nc(N)nc2N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.C=C1Sc2c(NC3CC3)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(NC3CCCC3)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(nc(N)[nH]c2=O)N1[C@@H]1O[C@H](COC(=O)[C@@H](CC)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(nc(N)[nH]c2=O)N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(nc(N)[nH]c2=O)N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.[H]/N=C1/CC2=C(SC(=C)N2[C@@H]2O[C@H](CC)[C@@H](O)[C@H]2O)C(=O)N1
• InChI: InChI=1S/C21H32N6O5S.C20H30N6O5S.C19H28N6O5S.C18H28N6O5S.C18H26N4O6S.C17H25N5O6S.C16H23N5O6S.C14H19N5O4S.C13H17N3O4S/c1-9(2)13(22)20(30)31-8-12-14(28)15(29)19(32-12)27-10(3)33-16-17(24-11-6-4-5-7-11)25-21(23)26-18(16)27;1-9(2)12(21)19(29)30-8-11-13(27)14(28)18(31-11)26-10(3)32-15-16(25-6-4-5-7-25)23-20(22)24-17(15)26;1-7(2)11(20)18(28)29-6-10-12(26)13(27)17(30-10)25-8(3)31-14-15(22-9-4-5-9)23-19(21)24-16(14)25;1-7(2)10(19)17(27)28-6-9-11(25)12(26)16(29-9)24-8(3)30-13-14(23(4)5)21-18(20)22-15(13)24;1-5-9(7(2)3)17(26)27-6-10-11(23)12(24)16(28-10)22-8(4)29-13-14(22)20-18(19)21-15(13)25;1-6-22(12-10(29-6)13(25)21-16(19)20-12)14-9(24)8(23)7(28-14)5-27-15(26)11(18)17(2,3)4;1-5(2)8(17)15(25)26-4-7-9(22)10(23)14(27-7)21-6(3)28-11-12(21)19-16(18)20-13(11)24;1-5-19(13-9(22)8(21)7(4-20)23-13)12-10(24-5)11(16-6-2-3-6)17-14(15)18-12;1-3-7-9(17)10(18)13(20-7)16-5(2)21-11-6(16)4-8(14)15-12(11)19/h9,11-15,19,28-29H,3-8,22H2,1-2H3,(H3,23,24,25,26);9,11-14,18,27-28H,3-8,21H2,1-2H3,(H2,22,23,24);7,9-13,17,26-27H,3-6,20H2,1-2H3,(H3,21,22,23,24);7,9-12,16,25-26H,3,6,19H2,1-2,4-5H3,(H2,20,21,22);7,9-12,16,23-24H,4-6H2,1-3H3,(H3,19,20,21,25);7-9,11,14,23-24H,1,5,18H2,2-4H3,(H3,19,20,21,25);5,7-10,14,22-23H,3-4,17H2,1-2H3,(H3,18,19,20,24);6-9,13,20-22H,1-4H2,(H3,15,16,17,18);7,9-10,13,17-18H,2-4H2,1H3,(H2,14,15,19)/t12-,13+,14-,15-,19-;11-,12+,13-,14-,18-;10-,11+,12-,13-,17-;9-,10+,11-,12-,16-;9-,10+,11+,12+,16+;7-,8-,9-,11-,14-;7-,8+,9-,10-,14-;7-,8-,9-,13-;7-,9-,10-,13-/m111101111/s1
• InChIKey: JOPXWCLZKJAWNY-RAQPMTRLSA-N
• XLogP: -2.00
• TPSA: 1406.65 Ų
• H-Bond Donors: 41
• H-Bond Acceptors: 97
• Rotatable Bonds: 47
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3772.42
LogP ≤ 5	-2.00
H-Bond Donors ≤ 5	41
H-Bond Acceptors ≤ 10	97

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one?

The IUPAC name of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 167599876) is [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one.

What is the SMILES notation for [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one?

The canonical SMILES for [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one is C=C1Sc2c(N(C)C)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(N3CCCC3)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(NC3CC3)nc(N)nc2N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.C=C1Sc2c(NC3CC3)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(NC3CCCC3)nc(N)nc2N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(nc(N)[nH]c2=O)N1[C@@H]1O[C@H](COC(=O)[C@@H](CC)C(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(nc(N)[nH]c2=O)N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)(C)C)[C@@H](O)[C@H]1O.C=C1Sc2c(nc(N)[nH]c2=O)N1[C@@H]1O[C@H](COC(=O)[C@@H](N)C(C)C)[C@@H](O)[C@H]1O.[H]/N=C1/CC2=C(SC(=C)N2[C@@H]2O[C@H](CC)[C@@H](O)[C@H]2O)C(=O)N1.

What is the InChIKey of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one?

The InChIKey is JOPXWCLZKJAWNY-RAQPMTRLSA-N. The full InChI is InChI=1S/C21H32N6O5S.C20H30N6O5S.C19H28N6O5S.C18H28N6O5S.C18H26N4O6S.C17H25N5O6S.C16H23N5O6S.C14H19N5O4S.C13H17N3O4S/c1-9(2)13(22)20(30)31-8-12-14(28)15(29)19(32-12)27-10(3)33-16-17(24-11-6-4-5-7-11)25-21(23)26-18(16)27;1-9(2)12(21)19(29)30-8-11-13(27)14(28)18(31-11)26-10(3)32-15-16(25-6-4-5-7-25)23-20(22)24-17(15)26;1-7(2)11(20)18(28)29-6-10-12(26)13(27)17(30-10)25-8(3)31-14-15(22-9-4-5-9)23-19(21)24-16(14)25;1-7(2)10(19)17(27)28-6-9-11(25)12(26)16(29-9)24-8(3)30-13-14(23(4)5)21-18(20)22-15(13)24;1-5-9(7(2)3)17(26)27-6-10-11(23)12(24)16(28-10)22-8(4)29-13-14(22)20-18(19)21-15(13)25;1-6-22(12-10(29-6)13(25)21-16(19)20-12)14-9(24)8(23)7(28-14)5-27-15(26)11(18)17(2,3)4;1-5(2)8(17)15(25)26-4-7-9(22)10(23)14(27-7)21-6(3)28-11-12(21)19-16(18)20-13(11)24;1-5-19(13-9(22)8(21)7(4-20)23-13)12-10(24-5)11(16-6-2-3-6)17-14(15)18-12;1-3-7-9(17)10(18)13(20-7)16-5(2)21-11-6(16)4-8(14)15-12(11)19/h9,11-15,19,28-29H,3-8,22H2,1-2H3,(H3,23,24,25,26);9,11-14,18,27-28H,3-8,21H2,1-2H3,(H2,22,23,24);7,9-13,17,26-27H,3-6,20H2,1-2H3,(H3,21,22,23,24);7,9-12,16,25-26H,3,6,19H2,1-2,4-5H3,(H2,20,21,22);7,9-12,16,23-24H,4-6H2,1-3H3,(H3,19,20,21,25);7-9,11,14,23-24H,1,5,18H2,2-4H3,(H3,19,20,21,25);5,7-10,14,22-23H,3-4,17H2,1-2H3,(H3,18,19,20,24);6-9,13,20-22H,1-4H2,(H3,15,16,17,18);7,9-10,13,17-18H,2-4H2,1H3,(H2,14,15,19)/t12-,13+,14-,15-,19-;11-,12+,13-,14-,18-;10-,11+,12-,13-,17-;9-,10+,11-,12-,16-;9-,10+,11+,12+,16+;7-,8-,9-,11-,14-;7-,8+,9-,10-,14-;7-,8-,9-,13-;7-,9-,10-,13-/m111101111/s1.

What are the key properties of [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one?

[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 3772.42 g/mol, XLogP of -2.00, 47 rotatable bonds, 41 hydrogen bond donors, and 97 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-[5-amino-7-(cyclopentylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;(2R,3R,4S,5R)-2-[5-amino-7-(cyclopropylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-5-[5-amino-7-(dimethylamino)-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-ethyl-3-methylbutanoate;[(2R,3S,4R,5R)-5-(5-amino-2-methylidene-7-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-6-imino-2-methylidene-7H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 167599876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).