2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C86H70F4N16O20S9 — CID 161136563

About 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 161136563) has the molecular formula C86H70F4N16O20S9 and a molecular weight of 2012.19 g/mol. Its IUPAC name is 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 161136563
• Molecular Formula: C86H70F4N16O20S9
• Molecular Weight: 2012.19 g/mol
• Exact Mass: 2010.24
• IUPAC Name: 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccc(F)c2s1.CC(F)(F)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.CCOC(=O)CC(=O)c1ccsc1NC(=O)c1cn2ccc(C#N)cc2n1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccc(F)c2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2nc(C)c(C)cc2s1
• InChI: InChI=1S/C18H15FN2O4S2.C18H14N4O4S.C17H13FN2O4S2.C17H16N4O4S2.C16H12F2N4O4S2/c1-9(2)25-18(24)21-15(22)11-6-7-26-17(11)20-16(23)13-8-10-4-3-5-12(19)14(10)27-13;1-2-26-16(24)8-14(23)12-4-6-27-18(12)21-17(25)13-10-22-5-3-11(9-19)7-15(22)20-13;1-2-24-17(23)20-14(21)10-6-7-25-16(10)19-15(22)12-8-9-4-3-5-11(18)13(9)26-12;1-4-25-17(24)21-13(22)10-5-6-26-15(10)20-14(23)16-19-12-11(27-16)7-8(2)9(3)18-12;1-16(17,18)7-26-15(25)22-11(23)8-3-5-27-13(8)21-12(24)14-20-9-6-19-4-2-10(9)28-14/h3-9H,1-2H3,(H,20,23)(H,21,22,24);3-7,10H,2,8H2,1H3,(H,21,25);3-8H,2H2,1H3,(H,19,22)(H,20,21,23);5-7H,4H2,1-3H3,(H,20,23)(H,21,22,24);2-6H,7H2,1H3,(H,21,24)(H,22,23,25)
• InChIKey: UMWLMDYFRBWJRN-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 503.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2012.19
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

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 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 161136563) is 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccc(F)c2s1.CC(F)(F)COC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1.CCOC(=O)CC(=O)c1ccsc1NC(=O)c1cn2ccc(C#N)cc2n1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cc2cccc(F)c2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2nc(C)c(C)cc2s1.

What is the InChIKey of 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is UMWLMDYFRBWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2.C18H14N4O4S.C17H13FN2O4S2.C17H16N4O4S2.C16H12F2N4O4S2/c1-9(2)25-18(24)21-15(22)11-6-7-26-17(11)20-16(23)13-8-10-4-3-5-12(19)14(10)27-13;1-2-26-16(24)8-14(23)12-4-6-27-18(12)21-17(25)13-10-22-5-3-11(9-19)7-15(22)20-13;1-2-24-17(23)20-14(21)10-6-7-25-16(10)19-15(22)12-8-9-4-3-5-11(18)13(9)26-12;1-4-25-17(24)21-13(22)10-5-6-26-15(10)20-14(23)16-19-12-11(27-16)7-8(2)9(3)18-12;1-16(17,18)7-26-15(25)22-11(23)8-3-5-27-13(8)21-12(24)14-20-9-6-19-4-2-10(9)28-14/h3-9H,1-2H3,(H,20,23)(H,21,22,24);3-7,10H,2,8H2,1H3,(H,21,25);3-8H,2H2,1H3,(H,19,22)(H,20,21,23);5-7H,4H2,1-3H3,(H,20,23)(H,21,22,24);2-6H,7H2,1H3,(H,21,24)(H,22,23,25).

What are the key properties of 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 2012.19 g/mol, XLogP of 18.56, 23 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl 3-[2-[(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophen-3-yl]-3-oxopropanoate;ethyl N-[2-[(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 161136563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).