tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one

C111H146N22O20S5 — CID 169427483

About tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one

tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one (PubChem CID 169427483) has the molecular formula C111H146N22O20S5 and a molecular weight of 2268.86 g/mol. Its IUPAC name is tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one.

Molecular Properties

• Compound Name: tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one
• PubChem CID: 169427483
• Molecular Formula: C111H146N22O20S5
• Molecular Weight: 2268.86 g/mol
• Exact Mass: 2266.97
• IUPAC Name: tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2nc(N)sc2C1.CCCOCCCC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CN(C(=O)OC(C)(C)C)CC3)n2C.CCc1ccc2c(c1)nc(Cc1nc3c(s1)CN(C(=O)OC(C)(C)C)CC3)n2C.Cn1c(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)nc2ccccc21.Cn1c(Nc2nc3c(s2)CNCC3)nc2cc(C(=O)CCCOCCO)ccc21.O=C=O.O=C=O
• InChI: InChI=1S/C26H35N5O4S.C22H28N4O2S.C20H25N5O3S.C20H24N4O2S.C11H17N3O2S.C10H17NO3.2CO2/c1-6-13-34-14-7-8-21(32)17-9-10-20-19(15-17)27-23(30(20)5)29-24-28-18-11-12-31(16-22(18)36-24)25(33)35-26(2,3)4;1-6-14-7-8-17-16(11-14)23-19(25(17)5)12-20-24-15-9-10-26(13-18(15)29-20)21(27)28-22(2,3)4;1-25-16-5-4-13(17(27)3-2-9-28-10-8-26)11-15(16)22-19(25)24-20-23-14-6-7-21-12-18(14)29-20;1-20(2,3)26-19(25)24-10-9-14-16(12-24)27-18(22-14)11-17-21-13-7-5-6-8-15(13)23(17)4;1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;2*2-1-3/h9-10,15H,6-8,11-14,16H2,1-5H3,(H,27,28,29);7-8,11H,6,9-10,12-13H2,1-5H3;4-5,11,21,26H,2-3,6-10,12H2,1H3,(H,22,23,24);5-8H,9-12H2,1-4H3;4-6H2,1-3H3,(H2,12,13);4-7H2,1-3H3
• InChIKey: MNMVGXJELYABAF-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 503.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.86
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one?

The IUPAC name of tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one (CID 169427483) is tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one.

What is the SMILES notation for tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one?

The canonical SMILES for tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one is CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2nc(N)sc2C1.CCCOCCCC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CN(C(=O)OC(C)(C)C)CC3)n2C.CCc1ccc2c(c1)nc(Cc1nc3c(s1)CN(C(=O)OC(C)(C)C)CC3)n2C.Cn1c(Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)nc2ccccc21.Cn1c(Nc2nc3c(s2)CNCC3)nc2cc(C(=O)CCCOCCO)ccc21.O=C=O.O=C=O.

What is the InChIKey of tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one?

The InChIKey is MNMVGXJELYABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4S.C22H28N4O2S.C20H25N5O3S.C20H24N4O2S.C11H17N3O2S.C10H17NO3.2CO2/c1-6-13-34-14-7-8-21(32)17-9-10-20-19(15-17)27-23(30(20)5)29-24-28-18-11-12-31(16-22(18)36-24)25(33)35-26(2,3)4;1-6-14-7-8-17-16(11-14)23-19(25(17)5)12-20-24-15-9-10-26(13-18(15)29-20)21(27)28-22(2,3)4;1-25-16-5-4-13(17(27)3-2-9-28-10-8-26)11-15(16)22-19(25)24-20-23-14-6-7-21-12-18(14)29-20;1-20(2,3)26-19(25)24-10-9-14-16(12-24)27-18(22-14)11-17-21-13-7-5-6-8-15(13)23(17)4;1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;2*2-1-3/h9-10,15H,6-8,11-14,16H2,1-5H3,(H,27,28,29);7-8,11H,6,9-10,12-13H2,1-5H3;4-5,11,21,26H,2-3,6-10,12H2,1H3,(H,22,23,24);5-8H,9-12H2,1-4H3;4-6H2,1-3H3,(H2,12,13);4-7H2,1-3H3;;.

What are the key properties of tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one?

tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one has a molecular weight of 2268.86 g/mol, XLogP of 18.67, 23 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(5-ethyl-1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-[[1-methyl-5-(4-propoxybutanoyl)benzimidazol-2-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;bis(carbon dioxide);4-(2-hydroxyethoxy)-1-[1-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylamino)benzimidazol-5-yl]butan-1-one is sourced from PubChem (CID 169427483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).