cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate

C14H20CoN8S2-4 — CID 5247092

IUPACcobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate
SMILESNC([S-])=NN=CC1=CC=CC[N-]1.NC([S-])=NN=CC1CCCC[N-]1.[Co]
InChIInChI=1S/C7H13N4S.C7H9N4S.Co/c2*8-7(12)11-10-5-6-3-1-2-4-9-6;/h5-6H,1-4H2,(H3,8,11,12);1-3,5H,4H2,(H3,8,11,12);/q2*-1;/p-2
InChIKeyQLLLDHXSDWQMRM-UHFFFAOYSA-L
MW423.44 g/mol
LogP1.42
Rot. Bonds4

About cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate

cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate (PubChem CID 5247092) has the molecular formula C14H20CoN8S2-4 and a molecular weight of 423.44 g/mol. Its IUPAC name is cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate.

Molecular Properties

Compound Namecobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate
PubChem CID5247092
Molecular FormulaC14H20CoN8S2-4
Molecular Weight423.44 g/mol
Exact Mass423.06
IUPAC Namecobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate
SMILESNC([S-])=NN=CC1=CC=CC[N-]1.NC([S-])=NN=CC1CCCC[N-]1.[Co]
InChIInChI=1S/C7H13N4S.C7H9N4S.Co/c2*8-7(12)11-10-5-6-3-1-2-4-9-6;/h5-6H,1-4H2,(H3,8,11,12);1-3,5H,4H2,(H3,8,11,12);/q2*-1;/p-2
InChIKeyQLLLDHXSDWQMRM-UHFFFAOYSA-L
XLogP1.42
TPSA129.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate?
The IUPAC name of cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate (CID 5247092) is cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate.
What is the SMILES notation for cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate?
The canonical SMILES for cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate is NC([S-])=NN=CC1=CC=CC[N-]1.NC([S-])=NN=CC1CCCC[N-]1.[Co].
What is the InChIKey of cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate?
The InChIKey is QLLLDHXSDWQMRM-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H13N4S.C7H9N4S.Co/c2*8-7(12)11-10-5-6-3-1-2-4-9-6;/h5-6H,1-4H2,(H3,8,11,12);1-3,5H,4H2,(H3,8,11,12);/q2*-1;/p-2.
What are the key properties of cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate?
cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate has a molecular weight of 423.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;N'-(piperidin-1-id-2-ylmethylideneamino)carbamimidothioate;N'-(2H-pyridin-1-id-6-ylmethylideneamino)carbamimidothioate is sourced from PubChem (CID 5247092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).