actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C14H11AcClFN4O3S- — CID 59043614

About actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 59043614) has the molecular formula C14H11AcClFN4O3S- and a molecular weight of 596.79 g/mol. Its IUPAC name is actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

• Compound Name: actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
• PubChem CID: 59043614
• Molecular Formula: C14H11AcClFN4O3S-
• Molecular Weight: 596.79 g/mol
• Exact Mass: 596.05
• IUPAC Name: actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
• SMILES: [Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C14H11ClFN4O3S.Ac/c15-11-5-18-13(24-11)19-12(21)9-2-1-7(3-10(9)16)20-6-8(4-17)23-14(20)22;/h1-3,5,8,17H,4,6H2,(H,18,19,21);/q-1;/t8-;/m0./s1
• InChIKey: AXSHTBQCVJBQCZ-QRPNPIFTSA-N
• XLogP: 3.57
• TPSA: 95.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.79
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 59043614) is actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

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

The canonical SMILES for actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is [Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3ncc(Cl)s3)c(F)c2)C(=O)O1.

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

The InChIKey is AXSHTBQCVJBQCZ-QRPNPIFTSA-N. The full InChI is InChI=1S/C14H11ClFN4O3S.Ac/c15-11-5-18-13(24-11)19-12(21)9-2-1-7(3-10(9)16)20-6-8(4-17)23-14(20)22;/h1-3,5,8,17H,4,6H2,(H,18,19,21);/q-1;/t8-;/m0./s1.

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

actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 596.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;[(5S)-3-[4-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 59043614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).