bis(1,3-thiazolidin-2-yl)methanone;iron

C7H12FeN2OS2 — CID 175441879

IUPACbis(1,3-thiazolidin-2-yl)methanone;iron
SMILESO=C(C1NCCS1)C1NCCS1.[Fe]
InChIInChI=1S/C7H12N2OS2.Fe/c10-5(6-8-1-3-11-6)7-9-2-4-12-7;/h6-9H,1-4H2;
InChIKeyZSYLODIYOHOHDI-UHFFFAOYSA-N
MW260.17 g/mol
LogP-0.12
Rot. Bonds2

About bis(1,3-thiazolidin-2-yl)methanone;iron

bis(1,3-thiazolidin-2-yl)methanone;iron (PubChem CID 175441879) has the molecular formula C7H12FeN2OS2 and a molecular weight of 260.17 g/mol. Its IUPAC name is bis(1,3-thiazolidin-2-yl)methanone;iron.

Molecular Properties

Compound Namebis(1,3-thiazolidin-2-yl)methanone;iron
PubChem CID175441879
Molecular FormulaC7H12FeN2OS2
Molecular Weight260.17 g/mol
Exact Mass259.97
IUPAC Namebis(1,3-thiazolidin-2-yl)methanone;iron
SMILESO=C(C1NCCS1)C1NCCS1.[Fe]
InChIInChI=1S/C7H12N2OS2.Fe/c10-5(6-8-1-3-11-6)7-9-2-4-12-7;/h6-9H,1-4H2;
InChIKeyZSYLODIYOHOHDI-UHFFFAOYSA-N
XLogP-0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1,3-thiazolidine-2-carboxylic acid
CID 144912581
rubidium(1+);(2R)-1,3-thiazolidine-2-carboxylate
CID 59200106
(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
CID 20830000
carbamothioyl 1,3-thiazolidine-2-carboxylate
CID 154410190
phenyl(1,3-thiazolidin-2-yl)methanone;hydrochloride
CID 138398651
ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
CID 55278769
piperidine-2-carboxylic acid;1,3-thiazolidine-2-carboxylic acid
CID 67719115
carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
CID 71405468
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
CID 10125142
(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-2-yl)pentanoic acid
CID 10171360
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
CID 70296848
N-(5-chloro-3-pyridinyl)-1,3-thiazolidine-2-carboxamide
CID 123567068

Frequently Asked Questions

What is the IUPAC name of bis(1,3-thiazolidin-2-yl)methanone;iron?
The IUPAC name of bis(1,3-thiazolidin-2-yl)methanone;iron (CID 175441879) is bis(1,3-thiazolidin-2-yl)methanone;iron.
What is the SMILES notation for bis(1,3-thiazolidin-2-yl)methanone;iron?
The canonical SMILES for bis(1,3-thiazolidin-2-yl)methanone;iron is O=C(C1NCCS1)C1NCCS1.[Fe].
What is the InChIKey of bis(1,3-thiazolidin-2-yl)methanone;iron?
The InChIKey is ZSYLODIYOHOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2.Fe/c10-5(6-8-1-3-11-6)7-9-2-4-12-7;/h6-9H,1-4H2;.
What are the key properties of bis(1,3-thiazolidin-2-yl)methanone;iron?
bis(1,3-thiazolidin-2-yl)methanone;iron has a molecular weight of 260.17 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-thiazolidin-2-yl)methanone;iron is sourced from PubChem (CID 175441879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).