actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C14H13AcFN3O2S2- — CID 59043587

IUPACactinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILESCc1cnc(Sc2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)s1.[Ac]
InChIInChI=1S/C14H13FN3O2S2.Ac/c1-8-6-17-13(21-8)22-12-3-2-9(4-11(12)15)18-7-10(5-16)20-14(18)19;/h2-4,6,10,16H,5,7H2,1H3;/q-1;/t10-;/m0./s1
InChIKeyXGSGRJWQSJLCHT-PPHPATTJSA-N
MW565.41 g/mol
LogP4.12
Rot. Bonds4

About actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 59043587) has the molecular formula C14H13AcFN3O2S2- and a molecular weight of 565.41 g/mol. Its IUPAC name is actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
PubChem CID59043587
Molecular FormulaC14H13AcFN3O2S2-
Molecular Weight565.41 g/mol
Exact Mass565.07
IUPAC Nameactinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILESCc1cnc(Sc2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)s1.[Ac]
InChIInChI=1S/C14H13FN3O2S2.Ac/c1-8-6-17-13(21-8)22-12-3-2-9(4-11(12)15)18-7-10(5-16)20-14(18)19;/h2-4,6,10,16H,5,7H2,1H3;/q-1;/t10-;/m0./s1
InChIKeyXGSGRJWQSJLCHT-PPHPATTJSA-N
XLogP4.12
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 22966270
actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 86577446
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CID 22943605
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CID 59043598
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
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CID 59043670
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
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CID 59043575
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
actinium;[3-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 18713333
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143

Frequently Asked Questions

What is the IUPAC name of actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The IUPAC name of actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 59043587) is actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.
What is the SMILES notation for actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The canonical SMILES for actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is Cc1cnc(Sc2ccc(N3C[C@H](C[NH-])OC3=O)cc2F)s1.[Ac].
What is the InChIKey of actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The InChIKey is XGSGRJWQSJLCHT-PPHPATTJSA-N. The full InChI is InChI=1S/C14H13FN3O2S2.Ac/c1-8-6-17-13(21-8)22-12-3-2-9(4-11(12)15)18-7-10(5-16)20-14(18)19;/h2-4,6,10,16H,5,7H2,1H3;/q-1;/t10-;/m0./s1.
What are the key properties of actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 565.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 59043587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).