N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide

C94H113N13O13S7 — CID 158417947

About N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide

N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 158417947) has the molecular formula C94H113N13O13S7 and a molecular weight of 1857.48 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 158417947
• Molecular Formula: C94H113N13O13S7
• Molecular Weight: 1857.48 g/mol
• Exact Mass: 1855.66
• IUPAC Name: N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide
• SMILES: CCCCC[C@H](NC(=O)C1CCCO1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1CCCOC1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1CCOCC1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1nccs1)C(=O)c1nc2ccccc2s1.NCCCC[C@H](NC(=O)c1cncs1)C(=O)c1nc2ccccc2s1
• InChI: InChI=1S/2C20H26N2O3S.C19H24N2O3S.C18H19N3O2S2.C17H18N4O2S2/c1-2-3-4-10-16(21-19(24)14-8-7-12-25-13-14)18(23)20-22-15-9-5-6-11-17(15)26-20;1-2-3-4-8-16(21-19(24)14-10-12-25-13-11-14)18(23)20-22-15-7-5-6-9-17(15)26-20;1-2-3-4-9-14(20-18(23)15-10-7-12-24-15)17(22)19-21-13-8-5-6-11-16(13)25-19;1-2-3-4-8-13(20-16(23)18-19-10-11-24-18)15(22)17-21-12-7-5-6-9-14(12)25-17;18-8-4-3-6-12(20-16(23)14-9-19-10-24-14)15(22)17-21-11-5-1-2-7-13(11)25-17/h5-6,9,11,14,16H,2-4,7-8,10,12-13H2,1H3,(H,21,24);5-7,9,14,16H,2-4,8,10-13H2,1H3,(H,21,24);5-6,8,11,14-15H,2-4,7,9-10,12H2,1H3,(H,20,23);5-7,9-11,13H,2-4,8H2,1H3,(H,20,23);1-2,5,7,9-10,12H,3-4,6,8,18H2,(H,20,23)/t14?,16-;16-;14-,15?;13-;12-/m00000/s1
• InChIKey: HADBZAPVNMKAHL-QSUIUFSRSA-N
• XLogP: 18.84
• TPSA: 374.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1857.48
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide (CID 158417947) is N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide is CCCCC[C@H](NC(=O)C1CCCO1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1CCCOC1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1CCOCC1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1nccs1)C(=O)c1nc2ccccc2s1.NCCCC[C@H](NC(=O)c1cncs1)C(=O)c1nc2ccccc2s1.

What is the InChIKey of N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is HADBZAPVNMKAHL-QSUIUFSRSA-N. The full InChI is InChI=1S/2C20H26N2O3S.C19H24N2O3S.C18H19N3O2S2.C17H18N4O2S2/c1-2-3-4-10-16(21-19(24)14-8-7-12-25-13-14)18(23)20-22-15-9-5-6-11-17(15)26-20;1-2-3-4-8-16(21-19(24)14-10-12-25-13-11-14)18(23)20-22-15-7-5-6-9-17(15)26-20;1-2-3-4-9-14(20-18(23)15-10-7-12-24-15)17(22)19-21-13-8-5-6-11-16(13)25-19;1-2-3-4-8-13(20-16(23)18-19-10-11-24-18)15(22)17-21-12-7-5-6-9-14(12)25-17;18-8-4-3-6-12(20-16(23)14-9-19-10-24-14)15(22)17-21-11-5-1-2-7-13(11)25-17/h5-6,9,11,14,16H,2-4,7-8,10,12-13H2,1H3,(H,21,24);5-7,9,14,16H,2-4,8,10-13H2,1H3,(H,21,24);5-6,8,11,14-15H,2-4,7,9-10,12H2,1H3,(H,20,23);5-7,9-11,13H,2-4,8H2,1H3,(H,20,23);1-2,5,7,9-10,12H,3-4,6,8,18H2,(H,20,23)/t14?,16-;16-;14-,15?;13-;12-/m00000/s1.

What are the key properties of N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide?

N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 1857.48 g/mol, XLogP of 18.84, 40 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,3-thiazole-5-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxane-4-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]oxolane-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158417947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).