benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C85H64N20O22S10 — CID 158410617

About benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 158410617) has the molecular formula C85H64N20O22S10 and a molecular weight of 2038.23 g/mol. Its IUPAC name is benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 158410617
• Molecular Formula: C85H64N20O22S10
• Molecular Weight: 2038.23 g/mol
• Exact Mass: 2036.17
• IUPAC Name: benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: C#CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.C=CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.COCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OC1CCOC1.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OCc1ccccc1
• InChI: InChI=1S/C20H14N4O4S2.C17H14N4O5S2.C16H14N4O5S2.C16H12N4O4S2.C16H10N4O4S2/c25-16(24-20(27)28-11-12-4-2-1-3-5-12)13-7-9-29-18(13)23-17(26)19-22-14-10-21-8-6-15(14)30-19;22-13(21-17(24)26-9-2-5-25-8-9)10-3-6-27-15(10)20-14(23)16-19-11-7-18-4-1-12(11)28-16;1-24-5-6-25-16(23)20-12(21)9-3-7-26-14(9)19-13(22)15-18-10-8-17-4-2-11(10)27-15;2*1-2-6-24-16(23)20-12(21)9-4-7-25-14(9)19-13(22)15-18-10-8-17-5-3-11(10)26-15/h1-10H,11H2,(H,23,26)(H,24,25,27);1,3-4,6-7,9H,2,5,8H2,(H,20,23)(H,21,22,24);2-4,7-8H,5-6H2,1H3,(H,19,22)(H,20,21,23);2-5,7-8H,1,6H2,(H,19,22)(H,20,21,23);1,3-5,7-8H,6H2,(H,19,22)(H,20,21,23)
• InChIKey: GZGMQITZULSBNW-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 569.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.23
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 158410617) is benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is C#CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.C=CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.COCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OC1CCOC1.O=C(NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1)OCc1ccccc1.

What is the InChIKey of benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is GZGMQITZULSBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4S2.C17H14N4O5S2.C16H14N4O5S2.C16H12N4O4S2.C16H10N4O4S2/c25-16(24-20(27)28-11-12-4-2-1-3-5-12)13-7-9-29-18(13)23-17(26)19-22-14-10-21-8-6-15(14)30-19;22-13(21-17(24)26-9-2-5-25-8-9)10-3-6-27-15(10)20-14(23)16-19-11-7-18-4-1-12(11)28-16;1-24-5-6-25-16(23)20-12(21)9-3-7-26-14(9)19-13(22)15-18-10-8-17-4-2-11(10)27-15;2*1-2-6-24-16(23)20-12(21)9-4-7-25-14(9)19-13(22)15-18-10-8-17-5-3-11(10)26-15/h1-10H,11H2,(H,23,26)(H,24,25,27);1,3-4,6-7,9H,2,5,8H2,(H,20,23)(H,21,22,24);2-4,7-8H,5-6H2,1H3,(H,19,22)(H,20,21,23);2-5,7-8H,1,6H2,(H,19,22)(H,20,21,23);1,3-5,7-8H,6H2,(H,19,22)(H,20,21,23).

What are the key properties of benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 2038.23 g/mol, XLogP of 14.81, 24 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-methoxyethyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;oxolan-3-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-enyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;prop-2-ynyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 158410617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).