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

C85H76N18O20S8 — CID 162281808

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

cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 162281808) has the molecular formula C85H76N18O20S8 and a molecular weight of 1926.18 g/mol. Its IUPAC name is cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 162281808
• Molecular Formula: C85H76N18O20S8
• Molecular Weight: 1926.18 g/mol
• Exact Mass: 1924.32
• IUPAC Name: cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2cc[nH]c2c1.CCOC(=O)N(C)C(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.CCOC(=O)N(C)C(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nsc2ccccc12.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OC1CCCC1
• InChI: InChI=1S/C18H16N4O4S2.2C17H16N4O4S.C17H15N3O4S2.C16H13N3O4S2/c23-14(22-18(25)26-10-3-1-2-4-10)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17;1-9(2)25-17(24)21-15(23)11-4-6-26-16(11)20-14(22)10-7-13-12(19-8-10)3-5-18-13;1-3-25-17(24)20(2)16(23)11-7-9-26-15(11)19-14(22)12-10-21-8-5-4-6-13(21)18-12;1-3-24-17(23)20(2)16(22)10-8-9-25-14(10)19-13(21)15-18-11-6-4-5-7-12(11)26-15;1-2-23-16(22)18-13(20)10-7-8-24-15(10)17-14(21)12-9-5-3-4-6-11(9)25-19-12/h5-10H,1-4H2,(H,21,24)(H,22,23,25);3-9,18H,1-2H3,(H,20,22)(H,21,23,24);4-10H,3H2,1-2H3,(H,19,22);4-9H,3H2,1-2H3,(H,19,21);3-8H,2H2,1H3,(H,17,21)(H,18,20,22)
• InChIKey: AXGVQZIVHNYLLP-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 502.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.18
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate (CID 162281808) is cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate.

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

The canonical SMILES for cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2cc[nH]c2c1.CCOC(=O)N(C)C(=O)c1ccsc1NC(=O)c1cn2ccccc2n1.CCOC(=O)N(C)C(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nsc2ccccc12.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OC1CCCC1.

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

The InChIKey is AXGVQZIVHNYLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S2.2C17H16N4O4S.C17H15N3O4S2.C16H13N3O4S2/c23-14(22-18(25)26-10-3-1-2-4-10)11-6-8-27-16(11)21-15(24)17-20-12-9-19-7-5-13(12)28-17;1-9(2)25-17(24)21-15(23)11-4-6-26-16(11)20-14(22)10-7-13-12(19-8-10)3-5-18-13;1-3-25-17(24)20(2)16(23)11-7-9-26-15(11)19-14(22)12-10-21-8-5-4-6-13(21)18-12;1-3-24-17(23)20(2)16(22)10-8-9-25-14(10)19-13(21)15-18-11-6-4-5-7-12(11)26-15;1-2-23-16(22)18-13(20)10-7-8-24-15(10)17-14(21)12-9-5-3-4-6-11(9)25-19-12/h5-10H,1-4H2,(H,21,24)(H,22,23,25);3-9,18H,1-2H3,(H,20,22)(H,21,23,24);4-10H,3H2,1-2H3,(H,19,22);4-9H,3H2,1-2H3,(H,19,21);3-8H,2H2,1H3,(H,17,21)(H,18,20,22).

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

cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1926.18 g/mol, XLogP of 17.18, 20 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,2-benzothiazole-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;ethyl N-[2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carbonyl]-N-methylcarbamate;propan-2-yl N-[2-(1H-pyrrolo[3,2-b]pyridine-6-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162281808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).