actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane

C47H43Ac3ClF3N12O9S2-3 — CID 159827893

About actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane

actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane (PubChem CID 159827893) has the molecular formula C47H43Ac3ClF3N12O9S2-3 and a molecular weight of 1757.52 g/mol. Its IUPAC name is actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane.

Molecular Properties

• Compound Name: actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane
• PubChem CID: 159827893
• Molecular Formula: C47H43Ac3ClF3N12O9S2-3
• Molecular Weight: 1757.52 g/mol
• Exact Mass: 1756.32
• IUPAC Name: actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane
• SMILES: Cc1ccc(NC(=O)c2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)cn1.S.[Ac].[Ac].[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)nc3)c(F)c2)C(=O)O1.[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C17H16FN4O3.C16H13ClFN4O3.C14H12FN4O3S.3Ac.H2S/c1-10-2-3-11(8-20-10)21-16(23)14-5-4-12(6-15(14)18)22-9-13(7-19)25-17(22)24;17-14-4-1-9(7-20-14)21-15(23)12-3-2-10(5-13(12)18)22-8-11(6-19)25-16(22)24;15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13;;;;/h2-6,8,13,19H,7,9H2,1H3,(H,21,23);1-5,7,11,19H,6,8H2,(H,21,23);1-5,9,16H,6-7H2,(H,17,18,20);;;;1H2/q3*-1;;;;/t13-;11-;9-;;;;/m000..../s1
• InChIKey: WIGRFVNPHYHBLV-RTVNLJJDSA-N
• XLogP: 9.69
• TPSA: 285.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.52
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane?

The IUPAC name of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane (CID 159827893) is actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane.

What is the SMILES notation for actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane?

The canonical SMILES for actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane is Cc1ccc(NC(=O)c2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)cn1.S.[Ac].[Ac].[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ccc(Cl)nc3)c(F)c2)C(=O)O1.[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1.

What is the InChIKey of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane?

The InChIKey is WIGRFVNPHYHBLV-RTVNLJJDSA-N. The full InChI is InChI=1S/C17H16FN4O3.C16H13ClFN4O3.C14H12FN4O3S.3Ac.H2S/c1-10-2-3-11(8-20-10)21-16(23)14-5-4-12(6-15(14)18)22-9-13(7-19)25-17(22)24;17-14-4-1-9(7-20-14)21-15(23)12-3-2-10(5-13(12)18)22-8-11(6-19)25-16(22)24;15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13;;;;/h2-6,8,13,19H,7,9H2,1H3,(H,21,23);1-5,7,11,19H,6,8H2,(H,21,23);1-5,9,16H,6-7H2,(H,17,18,20);;;;1H2/q3*-1;;;;/t13-;11-;9-;;;;/m000..../s1.

What are the key properties of actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane?

actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane has a molecular weight of 1757.52 g/mol, XLogP of 9.69, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(5S)-3-[4-[(6-chloro-3-pyridinyl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-[(6-methyl-3-pyridinyl)carbamoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;[(5S)-3-[3-fluoro-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide;sulfane is sourced from PubChem (CID 159827893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).