ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

C78H64FN19O21S10 — CID 159609523

About ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 159609523) has the molecular formula C78H64FN19O21S10 and a molecular weight of 1943.15 g/mol. Its IUPAC name is ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• PubChem CID: 159609523
• Molecular Formula: C78H64FN19O21S10
• Molecular Weight: 1943.15 g/mol
• Exact Mass: 1941.17
• IUPAC Name: ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
• SMILES: CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cnn(C)c1NC(=O)c1nc2ccccc2s1.CCOC(=O)NC(=O)c1ncsc1NC(=O)c1nc2ccccc2s1.CCOS(=O)(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.O=C(Nc1sccc1C(=O)N1CCOC1=O)c1nc2ccccc2s1
• InChI: InChI=1S/C16H13FN4O4S2.C16H15N5O4S.C16H11N3O4S2.C15H12N4O4S2.C15H13N3O5S3/c1-7(2)25-16(24)21-12(22)8-5-11(17)27-14(8)20-13(23)15-19-9-6-18-4-3-10(9)26-15;1-3-25-16(24)20-13(22)9-8-17-21(2)12(9)19-14(23)15-18-10-6-4-5-7-11(10)26-15;20-12(14-17-10-3-1-2-4-11(10)25-14)18-13-9(5-8-24-13)15(21)19-6-7-23-16(19)22;1-2-23-15(22)19-11(20)10-13(24-7-16-10)18-12(21)14-17-8-5-3-4-6-9(8)25-14;1-2-23-26(21,22)18-12(19)9-7-8-24-14(9)17-13(20)15-16-10-5-3-4-6-11(10)25-15/h3-7H,1-2H3,(H,20,23)(H,21,22,24);4-8H,3H2,1-2H3,(H,19,23)(H,20,22,24);1-5,8H,6-7H2,(H,18,20);3-7H,2H2,1H3,(H,18,21)(H,19,20,22);3-8H,2H2,1H3,(H,17,20)(H,18,19)
• InChIKey: MMMQSSOBGQXAQA-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 538.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.15
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 159609523) is ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cnccc2s1.CCOC(=O)NC(=O)c1cnn(C)c1NC(=O)c1nc2ccccc2s1.CCOC(=O)NC(=O)c1ncsc1NC(=O)c1nc2ccccc2s1.CCOS(=O)(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1.O=C(Nc1sccc1C(=O)N1CCOC1=O)c1nc2ccccc2s1.

What is the InChIKey of ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

The InChIKey is MMMQSSOBGQXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S2.C16H15N5O4S.C16H11N3O4S2.C15H12N4O4S2.C15H13N3O5S3/c1-7(2)25-16(24)21-12(22)8-5-11(17)27-14(8)20-13(23)15-19-9-6-18-4-3-10(9)26-15;1-3-25-16(24)20-13(22)9-8-17-21(2)12(9)19-14(23)15-18-10-6-4-5-7-11(10)26-15;20-12(14-17-10-3-1-2-4-11(10)25-14)18-13-9(5-8-24-13)15(21)19-6-7-23-16(19)22;1-2-23-15(22)19-11(20)10-13(24-7-16-10)18-12(21)14-17-8-5-3-4-6-9(8)25-14;1-2-23-26(21,22)18-12(19)9-7-8-24-14(9)17-13(20)15-16-10-5-3-4-6-11(10)25-15/h3-7H,1-2H3,(H,20,23)(H,21,22,24);4-8H,3H2,1-2H3,(H,19,23)(H,20,22,24);1-5,8H,6-7H2,(H,18,20);3-7H,2H2,1H3,(H,18,21)(H,19,20,22);3-8H,2H2,1H3,(H,17,20)(H,18,19).

What are the key properties of ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?

ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1943.15 g/mol, XLogP of 14.30, 21 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1-methylpyrazole-4-carbonyl]carbamate;ethyl N-[5-(1,3-benzothiazole-2-carbonylamino)-1,3-thiazole-4-carbonyl]carbamate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate;N-[3-(2-oxo-1,3-oxazolidine-3-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 159609523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).