ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide

C84H80N20O18S8 — CID 159095023

About ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide

ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 159095023) has the molecular formula C84H80N20O18S8 and a molecular weight of 1914.22 g/mol. Its IUPAC name is ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

• Compound Name: ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
• PubChem CID: 159095023
• Molecular Formula: C84H80N20O18S8
• Molecular Weight: 1914.22 g/mol
• Exact Mass: 1912.37
• IUPAC Name: ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
• SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncn1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnn2ccccc12.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(N3CCN(C)CC3)nccc2s1.O=C(Nc1sccc1C(=O)N1CCSCC1)c1nc2ccccc2s1
• InChI: InChI=1S/C20H22N6O4S2.C18H15N3O4S.C17H15N3O2S3.C16H14N4O4S.C13H14N4O4S/c1-3-30-20(29)24-16(27)12-5-11-31-18(12)23-17(28)19-22-14-13(32-19)4-6-21-15(14)26-9-7-25(2)8-10-26;1-2-25-18(24)21-16(23)13-7-8-26-17(13)20-15(22)12-9-11-5-3-4-6-14(11)19-10-12;21-14(16-18-12-3-1-2-4-13(12)25-16)19-15-11(5-8-24-15)17(22)20-6-9-23-10-7-20;1-2-24-16(23)19-13(21)10-6-8-25-15(10)18-14(22)11-9-17-20-7-4-3-5-12(11)20;1-3-21-13(20)16-10(18)8-4-5-22-12(8)15-11(19)9-6-14-7-17(9)2/h4-6,11H,3,7-10H2,1-2H3,(H,23,28)(H,24,27,29);3-10H,2H2,1H3,(H,20,22)(H,21,23,24);1-5,8H,6-7,9-10H2,(H,19,21);3-9H,2H2,1H3,(H,18,22)(H,19,21,23);4-7H,3H2,1-2H3,(H,15,19)(H,16,18,20)
• InChIKey: KCOBVTIMPKOFAQ-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 480.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.22
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

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-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

The IUPAC name of ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide (CID 159095023) is ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide.

What is the SMILES notation for ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

The canonical SMILES for ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncn1C.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnn2ccccc12.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2c(N3CCN(C)CC3)nccc2s1.O=C(Nc1sccc1C(=O)N1CCSCC1)c1nc2ccccc2s1.

What is the InChIKey of ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

The InChIKey is KCOBVTIMPKOFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S2.C18H15N3O4S.C17H15N3O2S3.C16H14N4O4S.C13H14N4O4S/c1-3-30-20(29)24-16(27)12-5-11-31-18(12)23-17(28)19-22-14-13(32-19)4-6-21-15(14)26-9-7-25(2)8-10-26;1-2-25-18(24)21-16(23)13-7-8-26-17(13)20-15(22)12-9-11-5-3-4-6-14(11)19-10-12;21-14(16-18-12-3-1-2-4-13(12)25-16)19-15-11(5-8-24-15)17(22)20-6-9-23-10-7-20;1-2-24-16(23)19-13(21)10-6-8-25-15(10)18-14(22)11-9-17-20-7-4-3-5-12(11)20;1-3-21-13(20)16-10(18)8-4-5-22-12(8)15-11(19)9-6-14-7-17(9)2/h4-6,11H,3,7-10H2,1-2H3,(H,23,28)(H,24,27,29);3-10H,2H2,1H3,(H,20,22)(H,21,23,24);1-5,8H,6-7,9-10H2,(H,19,21);3-9H,2H2,1H3,(H,18,22)(H,19,21,23);4-7H,3H2,1-2H3,(H,15,19)(H,16,18,20).

What are the key properties of ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 1914.22 g/mol, XLogP of 14.03, 20 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 159095023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).