[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate

C14H16MnN7O2S- — CID 10573051

IUPAC[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate
SMILESC/C(=N\N=C(/N)[S-])c1ccccn1.NC(=O)N/N=C/c1ccco1.[Mn]
InChIInChI=1S/C8H10N4S.C6H7N3O2.Mn/c1-6(11-12-8(9)13)7-4-2-3-5-10-7;7-6(10)9-8-4-5-2-1-3-11-5;/h2-5H,1H3,(H3,9,12,13);1-4H,(H3,7,9,10);/p-1/b11-6+;8-4+;
InChIKeyDIRCXWSGYRJJCD-YNCVMXEJSA-M
MW401.33 g/mol
LogP0.95
Rot. Bonds4

About [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate

[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate (PubChem CID 10573051) has the molecular formula C14H16MnN7O2S- and a molecular weight of 401.33 g/mol. Its IUPAC name is [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate.

Molecular Properties

Compound Name[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate
PubChem CID10573051
Molecular FormulaC14H16MnN7O2S-
Molecular Weight401.33 g/mol
Exact Mass401.05
IUPAC Name[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate
SMILESC/C(=N\N=C(/N)[S-])c1ccccn1.NC(=O)N/N=C/c1ccco1.[Mn]
InChIInChI=1S/C8H10N4S.C6H7N3O2.Mn/c1-6(11-12-8(9)13)7-4-2-3-5-10-7;7-6(10)9-8-4-5-2-1-3-11-5;/h2-5H,1H3,(H3,9,12,13);1-4H,(H3,7,9,10);/p-1/b11-6+;8-4+;
InChIKeyDIRCXWSGYRJJCD-YNCVMXEJSA-M
XLogP0.95
TPSA144.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate?
The IUPAC name of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate (CID 10573051) is [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate.
What is the SMILES notation for [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate?
The canonical SMILES for [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate is C/C(=N\N=C(/N)[S-])c1ccccn1.NC(=O)N/N=C/c1ccco1.[Mn].
What is the InChIKey of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate?
The InChIKey is DIRCXWSGYRJJCD-YNCVMXEJSA-M. The full InChI is InChI=1S/C8H10N4S.C6H7N3O2.Mn/c1-6(11-12-8(9)13)7-4-2-3-5-10-7;7-6(10)9-8-4-5-2-1-3-11-5;/h2-5H,1H3,(H3,9,12,13);1-4H,(H3,7,9,10);/p-1/b11-6+;8-4+;.
What are the key properties of [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate?
[(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate has a molecular weight of 401.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-furan-2-ylmethylideneamino]urea;manganese;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate is sourced from PubChem (CID 10573051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).