ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C86H73N15O17S7 — CID 160591009

About ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 160591009) has the molecular formula C86H73N15O17S7 and a molecular weight of 1813.09 g/mol. Its IUPAC name is ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 160591009
• Molecular Formula: C86H73N15O17S7
• Molecular Weight: 1813.09 g/mol
• Exact Mass: 1811.34
• IUPAC Name: ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)c1ccccc1.CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)c1ccccc1.CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1)c1ccccc1.CCOC(=O)CC(=O)c1cc(CC(C)=O)sc1NC(=O)c1nc2cnccc2s1
• InChI: InChI=1S/C23H19N3O4S2.C22H19N5O4S.C22H18N4O4S2.C19H17N3O5S2/c1-2-17(14-8-4-3-5-9-14)30-23(29)26-19(27)15-12-13-31-21(15)25-20(28)22-24-16-10-6-7-11-18(16)32-22;1-2-17(14-6-4-3-5-7-14)31-22(30)26-20(29)16-9-11-32-21(16)25-19(28)15-12-23-18-8-10-24-27(18)13-15;1-2-16(13-6-4-3-5-7-13)30-22(29)26-18(27)14-9-11-31-20(14)25-19(28)21-24-15-8-10-23-12-17(15)32-21;1-3-27-16(25)8-14(24)12-7-11(6-10(2)23)28-18(12)22-17(26)19-21-13-9-20-5-4-15(13)29-19/h3-13,17H,2H2,1H3,(H,25,28)(H,26,27,29);3-13,17H,2H2,1H3,(H,25,28)(H,26,29,30);3-12,16H,2H2,1H3,(H,25,28)(H,26,27,29);4-5,7,9H,3,6,8H2,1-2H3,(H,22,26)
• InChIKey: RCZZATDVCCRRNC-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 437.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.09
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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 ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 160591009) is ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1)c1ccccc1.CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)c1ccccc1.CCC(OC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1)c1ccccc1.CCOC(=O)CC(=O)c1cc(CC(C)=O)sc1NC(=O)c1nc2cnccc2s1.

What is the InChIKey of ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is RCZZATDVCCRRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S2.C22H19N5O4S.C22H18N4O4S2.C19H17N3O5S2/c1-2-17(14-8-4-3-5-9-14)30-23(29)26-19(27)15-12-13-31-21(15)25-20(28)22-24-16-10-6-7-11-18(16)32-22;1-2-17(14-6-4-3-5-7-14)31-22(30)26-20(29)16-9-11-32-21(16)25-19(28)15-12-23-18-8-10-24-27(18)13-15;1-2-16(13-6-4-3-5-7-13)30-22(29)26-18(27)14-9-11-31-20(14)25-19(28)21-24-15-8-10-23-12-17(15)32-21;1-3-27-16(25)8-14(24)12-7-11(6-10(2)23)28-18(12)22-17(26)19-21-13-9-20-5-4-15(13)29-19/h3-13,17H,2H2,1H3,(H,25,28)(H,26,27,29);3-13,17H,2H2,1H3,(H,25,28)(H,26,29,30);3-12,16H,2H2,1H3,(H,25,28)(H,26,27,29);4-5,7,9H,3,6,8H2,1-2H3,(H,22,26).

What are the key properties of ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1813.09 g/mol, XLogP of 17.98, 26 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-oxo-3-[5-(2-oxopropyl)-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate;1-phenylpropyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate;1-phenylpropyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 160591009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).