ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C107H99N27O28S11 — CID 159653884

About ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 159653884) has the molecular formula C107H99N27O28S11 and a molecular weight of 2563.87 g/mol. Its IUPAC name is ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 159653884
• Molecular Formula: C107H99N27O28S11
• Molecular Weight: 2563.87 g/mol
• Exact Mass: 2561.41
• IUPAC Name: ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)CC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.CCOC(=O)NC(=O)c1ccsc1CC(=O)c1nc2c(s1)CCN(C)C2.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnnc1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ncccn12.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(s1)CCCC2.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
• InChI: InChI=1S/C17H19N3O4S2.C16H14N4O4S.C16H17N3O4S2.C15H13N5O4S.2C15H12N4O4S2.C13H12N4O4S/c1-3-24-17(23)19-15(22)10-5-7-25-14(10)8-12(21)16-18-11-9-20(2)6-4-13(11)26-16;1-2-24-14(22)7-12(21)11-4-6-25-16(11)19-15(23)10-8-17-13-3-5-18-20(13)9-10;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)19-11(21)9-4-7-25-13(9)18-12(22)10-8-17-14-16-5-3-6-20(10)14;1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14;1-2-23-15(22)19-10(20)8-5-7-24-12(8)18-11(21)14-17-9-4-3-6-16-13(9)25-14;1-2-21-13(20)17-11(19)9-4-6-22-12(9)16-10(18)8-3-5-14-15-7-8/h5,7H,3-4,6,8-9H2,1-2H3,(H,19,22,23);3-6,8-9H,2,7H2,1H3,(H,19,23);7-8H,2-6H2,1H3,(H,18,21)(H,19,20,22);3-8H,2H2,1H3,(H,18,22)(H,19,21,23);2*3-7H,2H2,1H3,(H,18,21)(H,19,20,22);3-7H,2H2,1H3,(H,16,18)(H,17,19,20)
• InChIKey: MRXTWGPFFCNOGW-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 734.18 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 54
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2563.87
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	54

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-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 159653884) is ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)CC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.CCOC(=O)NC(=O)c1ccsc1CC(=O)c1nc2c(s1)CCN(C)C2.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnnc1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ncccn12.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(s1)CCCC2.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cccnc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.

What is the InChIKey of ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is MRXTWGPFFCNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2.C16H14N4O4S.C16H17N3O4S2.C15H13N5O4S.2C15H12N4O4S2.C13H12N4O4S/c1-3-24-17(23)19-15(22)10-5-7-25-14(10)8-12(21)16-18-11-9-20(2)6-4-13(11)26-16;1-2-24-14(22)7-12(21)11-4-6-25-16(11)19-15(23)10-8-17-13-3-5-18-20(13)9-10;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)19-11(21)9-4-7-25-13(9)18-12(22)10-8-17-14-16-5-3-6-20(10)14;1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14;1-2-23-15(22)19-10(20)8-5-7-24-12(8)18-11(21)14-17-9-4-3-6-16-13(9)25-14;1-2-21-13(20)17-11(19)9-4-6-22-12(9)16-10(18)8-3-5-14-15-7-8/h5,7H,3-4,6,8-9H2,1-2H3,(H,19,22,23);3-6,8-9H,2,7H2,1H3,(H,19,23);7-8H,2-6H2,1H3,(H,18,21)(H,19,20,22);3-8H,2H2,1H3,(H,18,22)(H,19,21,23);2*3-7H,2H2,1H3,(H,18,21)(H,19,20,22);3-7H,2H2,1H3,(H,16,18)(H,17,19,20).

What are the key properties of ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 2563.87 g/mol, XLogP of 17.29, 31 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-(imidazo[1,2-a]pyrimidine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxoethyl]thiophene-3-carbonyl]carbamate;ethyl 3-oxo-3-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophen-3-yl]propanoate;ethyl N-[2-(pyridazine-4-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 159653884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).