actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide

C15H18AcN5O2S- — CID 59036757

IUPACactinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
SMILES[Ac].[NH-]Cc1ccc(CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1
InChIInChI=1S/C15H18N5O2S.Ac/c16-9-12-1-3-13(4-2-12)11-18-5-7-19(8-6-18)15-17-10-14(23-15)20(21)22;/h1-4,10,16H,5-9,11H2;/q-1;
InChIKeyAERGBHQLLACTIZ-UHFFFAOYSA-N
MW559.41 g/mol
LogP2.93
Rot. Bonds5

About actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide

actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide (PubChem CID 59036757) has the molecular formula C15H18AcN5O2S- and a molecular weight of 559.41 g/mol. Its IUPAC name is actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide.

Molecular Properties

Compound Nameactinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
PubChem CID59036757
Molecular FormulaC15H18AcN5O2S-
Molecular Weight559.41 g/mol
Exact Mass559.15
IUPAC Nameactinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
SMILES[Ac].[NH-]Cc1ccc(CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1
InChIInChI=1S/C15H18N5O2S.Ac/c16-9-12-1-3-13(4-2-12)11-18-5-7-19(8-6-18)15-17-10-14(23-15)20(21)22;/h1-4,10,16H,5-9,11H2;/q-1;
InChIKeyAERGBHQLLACTIZ-UHFFFAOYSA-N
XLogP2.93
TPSA86.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-nitro-1,3-thiazol-2-yl)azetidin-3-ol
CID 102771598
1-benzyl-4-(5-nitrothiophen-2-yl)piperazine
CID 4109638
3-(5-nitro-1,3-thiazol-2-yl)-1,5,3-dithiazocane
CID 125488442
actinium;[4-(chloromethyl)phenyl]methylazanide;[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 158755114
[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 102771576
4-[[4-(5-formyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 88990060
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
1-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 11515675
methyl 2-(4-benzylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 69197930
6,13-bis(5-nitro-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 153005881
2-(4-benzylpiperazin-1-yl)-6-nitro-1,3-benzothiazin-4-one
CID 134130062

Frequently Asked Questions

What is the IUPAC name of actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide?
The IUPAC name of actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide (CID 59036757) is actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide.
What is the SMILES notation for actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide?
The canonical SMILES for actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide is [Ac].[NH-]Cc1ccc(CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1.
What is the InChIKey of actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide?
The InChIKey is AERGBHQLLACTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N5O2S.Ac/c16-9-12-1-3-13(4-2-12)11-18-5-7-19(8-6-18)15-17-10-14(23-15)20(21)22;/h1-4,10,16H,5-9,11H2;/q-1;.
What are the key properties of actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide?
actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide has a molecular weight of 559.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[4-[[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide is sourced from PubChem (CID 59036757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).