ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C81H71F4N21O20S6 — CID 162281796

About ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 162281796) has the molecular formula C81H71F4N21O20S6 and a molecular weight of 1926.98 g/mol. Its IUPAC name is ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 162281796
• Molecular Formula: C81H71F4N21O20S6
• Molecular Weight: 1926.98 g/mol
• Exact Mass: 1925.34
• IUPAC Name: ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cn2ccccc2n1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2ccccc2s1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)C1=CN2C=CC=CN2N1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cn2ccccc2n1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cnc2ccnn2c1
• InChI: InChI=1S/C17H15FN4O4S.C17H14FN3O4S2.C16H13FN4O4S.C16H17N5O4S.C15H12FN5O4S/c1-9(2)26-17(25)21-14(23)10-7-12(18)27-16(10)20-15(24)11-8-22-6-4-3-5-13(22)19-11;1-8(2)25-17(24)21-13(22)9-7-12(18)27-15(9)20-14(23)16-19-10-5-3-4-6-11(10)26-16;1-2-25-16(24)20-13(22)9-7-11(17)26-15(9)19-14(23)10-8-21-6-4-3-5-12(21)18-10;1-10(2)25-16(24)18-13(22)11-5-8-26-15(11)17-14(23)12-9-20-6-3-4-7-21(20)19-12;1-2-25-15(24)20-13(23)9-5-10(16)26-14(9)19-12(22)8-6-17-11-3-4-18-21(11)7-8/h3-9H,1-2H3,(H,20,24)(H,21,23,25);3-8H,1-2H3,(H,20,23)(H,21,22,24);3-8H,2H2,1H3,(H,19,23)(H,20,22,24);3-10,19H,1-2H3,(H,17,23)(H,18,22,24);3-7H,2H2,1H3,(H,19,22)(H,20,23,24)
• InChIKey: PNZXJYLGQZALNY-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 518.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.98
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 162281796) is ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cn2ccccc2n1.CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2ccccc2s1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)C1=CN2C=CC=CN2N1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cn2ccccc2n1.CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1cnc2ccnn2c1.

What is the InChIKey of ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is PNZXJYLGQZALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S.C17H14FN3O4S2.C16H13FN4O4S.C16H17N5O4S.C15H12FN5O4S/c1-9(2)26-17(25)21-14(23)10-7-12(18)27-16(10)20-15(24)11-8-22-6-4-3-5-13(22)19-11;1-8(2)25-17(24)21-13(22)9-7-12(18)27-15(9)20-14(23)16-19-10-5-3-4-6-11(10)26-16;1-2-25-16(24)20-13(22)9-7-11(17)26-15(9)19-14(23)10-8-21-6-4-3-5-12(21)18-10;1-10(2)25-16(24)18-13(22)11-5-8-26-15(11)17-14(23)12-9-20-6-3-4-7-21(20)19-12;1-2-25-15(24)20-13(23)9-5-10(16)26-14(9)19-12(22)8-6-17-11-3-4-18-21(11)7-8/h3-9H,1-2H3,(H,20,24)(H,21,23,25);3-8H,1-2H3,(H,20,23)(H,21,22,24);3-8H,2H2,1H3,(H,19,23)(H,20,22,24);3-10,19H,1-2H3,(H,17,23)(H,18,22,24);3-7H,2H2,1H3,(H,19,22)(H,20,23,24).

What are the key properties of ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1926.98 g/mol, XLogP of 13.71, 20 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1,3-benzothiazole-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate;propan-2-yl N-[5-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(1H-triazolo[1,2-a]pyridazine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162281796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).