ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C84H74N20O20S9 — CID 162281811

About ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 162281811) has the molecular formula C84H74N20O20S9 and a molecular weight of 1972.24 g/mol. Its IUPAC name is ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 162281811
• Molecular Formula: C84H74N20O20S9
• Molecular Weight: 1972.24 g/mol
• Exact Mass: 1970.29
• IUPAC Name: ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(s1)CCCC2.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncccc2[nH]1
• InChI: InChI=1S/C21H16N4O4S2.2C16H14N4O4S2.C16H17N3O4S2.C15H13N5O4S/c1-2-29-21(28)25-16(26)13-11-15(12-7-4-3-5-8-12)30-18(13)24-17(27)20-23-14-9-6-10-22-19(14)31-20;1-8(2)24-16(23)20-12(21)9-4-6-25-14(9)19-13(22)15-18-10-7-17-5-3-11(10)26-15;1-8(2)24-16(23)20-11(21)9-5-7-25-13(9)19-12(22)15-18-10-4-3-6-17-14(10)26-15;1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15;1-2-24-15(23)20-12(21)8-5-7-25-14(8)19-13(22)11-17-9-4-3-6-16-10(9)18-11/h3-11H,2H2,1H3,(H,24,27)(H,25,26,28);2*3-8H,1-2H3,(H,19,22)(H,20,21,23);7-8H,2-6H2,1H3,(H,18,21)(H,19,20,22);3-7H,2H2,1H3,(H,19,22)(H,16,17,18)(H,20,21,23)
• InChIKey: DAKVUMXSQHTHEJ-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 554.30 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.24
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 162281811) is ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(s1)CCCC2.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncccc2[nH]1.

What is the InChIKey of ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is DAKVUMXSQHTHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S2.2C16H14N4O4S2.C16H17N3O4S2.C15H13N5O4S/c1-2-29-21(28)25-16(26)13-11-15(12-7-4-3-5-8-12)30-18(13)24-17(27)20-23-14-9-6-10-22-19(14)31-20;1-8(2)24-16(23)20-12(21)9-4-6-25-14(9)19-13(22)15-18-10-7-17-5-3-11(10)26-15;1-8(2)24-16(23)20-11(21)9-5-7-25-13(9)19-12(22)15-18-10-4-3-6-17-14(10)26-15;1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15;1-2-24-15(23)20-12(21)8-5-7-25-14(8)19-13(22)11-17-9-4-3-6-16-10(9)18-11/h3-11H,2H2,1H3,(H,24,27)(H,25,26,28);2*3-8H,1-2H3,(H,19,22)(H,20,21,23);7-8H,2-6H2,1H3,(H,18,21)(H,19,20,22);3-7H,2H2,1H3,(H,19,22)(H,16,17,18)(H,20,21,23).

What are the key properties of ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1972.24 g/mol, XLogP of 16.50, 21 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162281811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).