ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate

C101H71F8N19O20S8 — CID 160537558

About ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 160537558) has the molecular formula C101H71F8N19O20S8 and a molecular weight of 2279.31 g/mol. Its IUPAC name is ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 160537558
• Molecular Formula: C101H71F8N19O20S8
• Molecular Weight: 2279.31 g/mol
• Exact Mass: 2277.28
• IUPAC Name: ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2c(C)cccc2n1.O=C(CC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1)OCc1ccccc1C(F)(F)F.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OCc1ccccc1C(F)(F)F.O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCc1ccccc1F.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OCc1ccccc1F
• InChI: InChI=1S/C22H14F3N3O4S2.C21H14F3N5O4S.C21H14FN3O4S2.C20H13FN4O4S2.C17H16N4O4S/c23-22(24,25)14-5-2-1-4-12(14)11-32-17(30)10-16(29)13-7-9-33-19(13)28-18(31)21-27-15-6-3-8-26-20(15)34-21;22-21(23,24)15-4-2-1-3-12(15)11-33-20(32)28-18(31)14-6-8-34-19(14)27-17(30)13-9-25-16-5-7-26-29(16)10-13;22-14-6-2-1-5-12(14)11-29-21(28)25-17(26)13-9-10-30-19(13)24-18(27)20-23-15-7-3-4-8-16(15)31-20;21-13-4-2-1-3-11(13)10-29-20(28)25-16(26)12-6-8-30-18(12)24-17(27)19-23-14-9-22-7-5-15(14)31-19;1-3-25-17(24)20-14(22)11-7-8-26-16(11)19-15(23)12-9-21-10(2)5-4-6-13(21)18-12/h1-9H,10-11H2,(H,28,31);1-10H,11H2,(H,27,30)(H,28,31,32);1-10H,11H2,(H,24,27)(H,25,26,28);1-9H,10H2,(H,24,27)(H,25,26,28);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24)
• InChIKey: QWIWLCKONUDEPL-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 522.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2279.31
LogP ≤ 5	21.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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 ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate (CID 160537558) is ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cn2c(C)cccc2n1.O=C(CC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1)OCc1ccccc1C(F)(F)F.O=C(NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)OCc1ccccc1C(F)(F)F.O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCc1ccccc1F.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OCc1ccccc1F.

What is the InChIKey of ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is QWIWLCKONUDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O4S2.C21H14F3N5O4S.C21H14FN3O4S2.C20H13FN4O4S2.C17H16N4O4S/c23-22(24,25)14-5-2-1-4-12(14)11-32-17(30)10-16(29)13-7-9-33-19(13)28-18(31)21-27-15-6-3-8-26-20(15)34-21;22-21(23,24)15-4-2-1-3-12(15)11-33-20(32)28-18(31)14-6-8-34-19(14)27-17(30)13-9-25-16-5-7-26-29(16)10-13;22-14-6-2-1-5-12(14)11-29-21(28)25-17(26)13-9-10-30-19(13)24-18(27)20-23-15-7-3-4-8-16(15)31-20;21-13-4-2-1-3-11(13)10-29-20(28)25-16(26)12-6-8-30-18(12)24-17(27)19-23-14-9-22-7-5-15(14)31-19;1-3-25-17(24)20-14(22)11-7-8-26-16(11)19-15(23)12-9-21-10(2)5-4-6-13(21)18-12/h1-9H,10-11H2,(H,28,31);1-10H,11H2,(H,27,30)(H,28,31,32);1-10H,11H2,(H,24,27)(H,25,26,28);1-9H,10H2,(H,24,27)(H,25,26,28);4-9H,3H2,1-2H3,(H,19,23)(H,20,22,24).

What are the key properties of ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 2279.31 g/mol, XLogP of 21.34, 26 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-fluorophenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;[2-(trifluoromethyl)phenyl]methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 160537558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).