cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate

C84H68F2N16O20S9 — CID 162107312

About cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate

cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate (PubChem CID 162107312) has the molecular formula C84H68F2N16O20S9 and a molecular weight of 1948.16 g/mol. Its IUPAC name is cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate.

Molecular Properties

• Compound Name: cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate
• PubChem CID: 162107312
• Molecular Formula: C84H68F2N16O20S9
• Molecular Weight: 1948.16 g/mol
• Exact Mass: 1946.23
• IUPAC Name: cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate
• SMILES: CC(C)OC(=O)CC(=O)c1ccsc1NC(=O)c1cn2ccc(C#N)cc2n1.CC(F)(F)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncccc2s1.COC(=O)COC(=O)CC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.COC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.O=C(Nc1sccc1C(=O)OC1CCCCC1)c1nc2ccccc2s1
• InChI: InChI=1S/C19H16N4O4S.C19H18N2O3S2.C17H13N3O6S2.C16H12F2N4O4S2.C13H9N3O3S2/c1-11(2)27-17(25)8-15(24)13-4-6-28-19(13)22-18(26)14-10-23-5-3-12(9-20)7-16(23)21-14;22-16(18-20-14-8-4-5-9-15(14)26-18)21-17-13(10-11-25-17)19(23)24-12-6-2-1-3-7-12;1-25-14(23)8-26-13(22)6-11(21)9-3-5-27-16(9)20-15(24)17-19-10-7-18-4-2-12(10)28-17;1-16(17,18)7-26-15(25)22-11(23)8-4-6-27-13(8)21-12(24)14-20-10-9(28-14)3-2-5-19-10;1-19-13(18)7-3-5-20-11(7)16-10(17)12-15-8-6-14-4-2-9(8)21-12/h3-7,10-11H,8H2,1-2H3,(H,22,26);4-5,8-12H,1-3,6-7H2,(H,21,22);2-5,7H,6,8H2,1H3,(H,20,24);2-6H,7H2,1H3,(H,21,24)(H,22,23,25);2-6H,1H3,(H,16,17)
• InChIKey: ZFRFXCUWDHVBMP-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 497.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1948.16
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

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 cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate?

The IUPAC name of cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate (CID 162107312) is cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate.

What is the SMILES notation for cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate?

The canonical SMILES for cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate is CC(C)OC(=O)CC(=O)c1ccsc1NC(=O)c1cn2ccc(C#N)cc2n1.CC(F)(F)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncccc2s1.COC(=O)COC(=O)CC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.COC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.O=C(Nc1sccc1C(=O)OC1CCCCC1)c1nc2ccccc2s1.

What is the InChIKey of cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate?

The InChIKey is ZFRFXCUWDHVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S.C19H18N2O3S2.C17H13N3O6S2.C16H12F2N4O4S2.C13H9N3O3S2/c1-11(2)27-17(25)8-15(24)13-4-6-28-19(13)22-18(26)14-10-23-5-3-12(9-20)7-16(23)21-14;22-16(18-20-14-8-4-5-9-15(14)26-18)21-17-13(10-11-25-17)19(23)24-12-6-2-1-3-7-12;1-25-14(23)8-26-13(22)6-11(21)9-3-5-27-16(9)20-15(24)17-19-10-7-18-4-2-12(10)28-17;1-16(17,18)7-26-15(25)22-11(23)8-4-6-27-13(8)21-12(24)14-20-10-9(28-14)3-2-5-19-10;1-19-13(18)7-3-5-20-11(7)16-10(17)12-15-8-6-14-4-2-9(8)21-12/h3-7,10-11H,8H2,1-2H3,(H,22,26);4-5,8-12H,1-3,6-7H2,(H,21,22);2-5,7H,6,8H2,1H3,(H,20,24);2-6H,7H2,1H3,(H,21,24)(H,22,23,25);2-6H,1H3,(H,16,17).

What are the key properties of cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate?

cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate has a molecular weight of 1948.16 g/mol, XLogP of 16.76, 25 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;(2-methoxy-2-oxoethyl) 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;methyl 2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carboxylate;propan-2-yl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate is sourced from PubChem (CID 162107312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).