diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C97H88N20O28S9 — CID 161351042

About diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 161351042) has the molecular formula C97H88N20O28S9 and a molecular weight of 2270.49 g/mol. Its IUPAC name is diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 161351042
• Molecular Formula: C97H88N20O28S9
• Molecular Weight: 2270.49 g/mol
• Exact Mass: 2268.36
• IUPAC Name: diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)CC(=O)c1cc(CC(=O)OC)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cc(C(=O)OCC)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cc(CC(C(=O)OCC)C(=O)OCC)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1c(C)nc2ccccn12.Cc1cc(COC(=O)NC(=O)c2ccsc2NC(=O)c2nc3cnccc3s2)ccn1
• InChI: InChI=1S/C23H24N4O8S2.C20H15N5O4S2.C19H17N3O6S2.C18H16N4O6S2.C17H16N4O4S/c1-4-33-21(30)14(22(31)34-5-2)10-12-9-13(17(28)27-23(32)35-6-3)19(36-12)26-18(29)20-25-15-11-24-8-7-16(15)37-20;1-11-8-12(2-6-22-11)10-29-20(28)25-16(26)13-4-7-30-18(13)24-17(27)19-23-14-9-21-5-3-15(14)31-19;1-3-28-16(25)8-13(23)11-6-10(7-15(24)27-2)29-18(11)22-17(26)19-21-12-9-20-5-4-14(12)30-19;1-3-27-17(25)12-7-9(13(23)22-18(26)28-4-2)15(30-12)21-14(24)16-20-10-8-19-6-5-11(10)29-16;1-3-25-17(24)20-14(22)11-7-9-26-16(11)19-15(23)13-10(2)18-12-6-4-5-8-21(12)13/h7-9,11,14H,4-6,10H2,1-3H3,(H,26,29)(H,27,28,32);2-9H,10H2,1H3,(H,24,27)(H,25,26,28);4-6,9H,3,7-8H2,1-2H3,(H,22,26);5-8H,3-4H2,1-2H3,(H,21,24)(H,22,23,26);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24)
• InChIKey: VNXSULZYBPVECY-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 648.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 33
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.49
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 161351042) is diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)CC(=O)c1cc(CC(=O)OC)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cc(C(=O)OCC)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cc(CC(C(=O)OCC)C(=O)OCC)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1c(C)nc2ccccn12.Cc1cc(COC(=O)NC(=O)c2ccsc2NC(=O)c2nc3cnccc3s2)ccn1.

What is the InChIKey of diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is VNXSULZYBPVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O8S2.C20H15N5O4S2.C19H17N3O6S2.C18H16N4O6S2.C17H16N4O4S/c1-4-33-21(30)14(22(31)34-5-2)10-12-9-13(17(28)27-23(32)35-6-3)19(36-12)26-18(29)20-25-15-11-24-8-7-16(15)37-20;1-11-8-12(2-6-22-11)10-29-20(28)25-16(26)13-4-7-30-18(13)24-17(27)19-23-14-9-21-5-3-15(14)31-19;1-3-28-16(25)8-13(23)11-6-10(7-15(24)27-2)29-18(11)22-17(26)19-21-12-9-20-5-4-14(12)30-19;1-3-27-17(25)12-7-9(13(23)22-18(26)28-4-2)15(30-12)21-14(24)16-20-10-8-19-6-5-11(10)29-16;1-3-25-17(24)20-14(22)11-7-9-26-16(11)19-15(23)13-10(2)18-12-6-4-5-8-21(12)13/h7-9,11,14H,4-6,10H2,1-3H3,(H,26,29)(H,27,28,32);2-9H,10H2,1H3,(H,24,27)(H,25,26,28);4-6,9H,3,7-8H2,1-2H3,(H,22,26);5-8H,3-4H2,1-2H3,(H,21,24)(H,22,23,26);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24).

What are the key properties of diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 2270.49 g/mol, XLogP of 15.72, 33 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl 2-[[4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-2-yl]methyl]propanedioate;ethyl 4-(ethoxycarbonylcarbamoyl)-5-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-2-carboxylate;ethyl 3-[5-(2-methoxy-2-oxoethyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-methyl-4-pyridinyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 161351042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).