actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole

C14H19Ac2ClN6S2-2 — CID 158796058

IUPACactinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole
SMILESClc1cnc(N2CC[N-]CC2)s1.[Ac].[Ac].c1csc(N2CC[N-]CC2)n1
InChIInChI=1S/C7H9ClN3S.C7H10N3S.2Ac/c8-6-5-10-7(12-6)11-3-1-9-2-4-11;1-4-10(5-2-8-1)7-9-3-6-11-7;;/h5H,1-4H2;3,6H,1-2,4-5H2;;/q2*-1;;
InChIKeyYZYVIZREKYPENC-UHFFFAOYSA-N
MW824.93 g/mol
LogP3.33
Rot. Bonds2

About actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole

actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole (PubChem CID 158796058) has the molecular formula C14H19Ac2ClN6S2-2 and a molecular weight of 824.93 g/mol. Its IUPAC name is actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole.

Molecular Properties

Compound Nameactinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole
PubChem CID158796058
Molecular FormulaC14H19Ac2ClN6S2-2
Molecular Weight824.93 g/mol
Exact Mass824.14
IUPAC Nameactinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole
SMILESClc1cnc(N2CC[N-]CC2)s1.[Ac].[Ac].c1csc(N2CC[N-]CC2)n1
InChIInChI=1S/C7H9ClN3S.C7H10N3S.2Ac/c8-6-5-10-7(12-6)11-3-1-9-2-4-11;1-4-10(5-2-8-1)7-9-3-6-11-7;;/h5H,1-4H2;3,6H,1-2,4-5H2;;/q2*-1;;
InChIKeyYZYVIZREKYPENC-UHFFFAOYSA-N
XLogP3.33
TPSA60.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500824.93
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole?
The IUPAC name of actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole (CID 158796058) is actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole.
What is the SMILES notation for actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole?
The canonical SMILES for actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole is Clc1cnc(N2CC[N-]CC2)s1.[Ac].[Ac].c1csc(N2CC[N-]CC2)n1.
What is the InChIKey of actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole?
The InChIKey is YZYVIZREKYPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN3S.C7H10N3S.2Ac/c8-6-5-10-7(12-6)11-3-1-9-2-4-11;1-4-10(5-2-8-1)7-9-3-6-11-7;;/h5H,1-4H2;3,6H,1-2,4-5H2;;/q2*-1;;.
What are the key properties of actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole?
actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole has a molecular weight of 824.93 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;5-chloro-2-piperazin-4-id-1-yl-1,3-thiazole;2-piperazin-4-id-1-yl-1,3-thiazole is sourced from PubChem (CID 158796058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).