N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide

C5H3IN2O2S — CID 88578656

IUPACN-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide
SMILESO=Cc1cnc(NC(=O)I)s1
InChIInChI=1S/C5H3IN2O2S/c6-4(10)8-5-7-1-3(2-9)11-5/h1-2H,(H,7,8,10)
InChIKeyXOTVMDLSMLAKLH-UHFFFAOYSA-N
MW282.06 g/mol
LogP1.92
Rot. Bonds2

About N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide

N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide (PubChem CID 88578656) has the molecular formula C5H3IN2O2S and a molecular weight of 282.06 g/mol. Its IUPAC name is N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide.

Molecular Properties

Compound NameN-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide
PubChem CID88578656
Molecular FormulaC5H3IN2O2S
Molecular Weight282.06 g/mol
Exact Mass281.90
IUPAC NameN-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide
SMILESO=Cc1cnc(NC(=O)I)s1
InChIInChI=1S/C5H3IN2O2S/c6-4(10)8-5-7-1-3(2-9)11-5/h1-2H,(H,7,8,10)
InChIKeyXOTVMDLSMLAKLH-UHFFFAOYSA-N
XLogP1.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide?
The IUPAC name of N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide (CID 88578656) is N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide.
What is the SMILES notation for N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide?
The canonical SMILES for N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide is O=Cc1cnc(NC(=O)I)s1.
What is the InChIKey of N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide?
The InChIKey is XOTVMDLSMLAKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O2S/c6-4(10)8-5-7-1-3(2-9)11-5/h1-2H,(H,7,8,10).
What are the key properties of N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide?
N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide has a molecular weight of 282.06 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-1,3-thiazol-2-yl)carbamoyl iodide is sourced from PubChem (CID 88578656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).