dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol

C20H16MnN2O4S2 — CID 167660298

IUPACdioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol
SMILESO=Cc1cnc(-c2ccccc2)s1.O=[Mn]=O.OCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H9NOS.C10H7NOS.Mn.2O/c2*12-7-9-6-11-10(13-9)8-4-2-1-3-5-8;;;/h1-6,12H,7H2;1-7H;;;
InChIKeyASCGQNWSYNXYQO-UHFFFAOYSA-N
MW467.43 g/mol
LogP4.68
Rot. Bonds4

About dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol

dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol (PubChem CID 167660298) has the molecular formula C20H16MnN2O4S2 and a molecular weight of 467.43 g/mol. Its IUPAC name is dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Namedioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol
PubChem CID167660298
Molecular FormulaC20H16MnN2O4S2
Molecular Weight467.43 g/mol
Exact Mass466.99
IUPAC Namedioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol
SMILESO=Cc1cnc(-c2ccccc2)s1.O=[Mn]=O.OCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H9NOS.C10H7NOS.Mn.2O/c2*12-7-9-6-11-10(13-9)8-4-2-1-3-5-8;;;/h1-6,12H,7H2;1-7H;;;
InChIKeyASCGQNWSYNXYQO-UHFFFAOYSA-N
XLogP4.68
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol (CID 167660298) is dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol is O=Cc1cnc(-c2ccccc2)s1.O=[Mn]=O.OCc1cnc(-c2ccccc2)s1.
What is the InChIKey of dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol?
The InChIKey is ASCGQNWSYNXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS.C10H7NOS.Mn.2O/c2*12-7-9-6-11-10(13-9)8-4-2-1-3-5-8;;;/h1-6,12H,7H2;1-7H;;;.
What are the key properties of dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol?
dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol has a molecular weight of 467.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomanganese;2-phenyl-1,3-thiazole-5-carbaldehyde;(2-phenyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 167660298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).