(2-nitro-1,3-thiazol-5-yl)methyl hypoiodite

C4H3IN2O3S — CID 118550512

IUPAC(2-nitro-1,3-thiazol-5-yl)methyl hypoiodite
SMILESO=[N+]([O-])c1ncc(COI)s1
InChIInChI=1S/C4H3IN2O3S/c5-10-2-3-1-6-4(11-3)7(8)9/h1H,2H2
InChIKeyGJJWMRGCJRWULQ-UHFFFAOYSA-N
MW286.05 g/mol
LogP1.92
Rot. Bonds3

About (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite

(2-nitro-1,3-thiazol-5-yl)methyl hypoiodite (PubChem CID 118550512) has the molecular formula C4H3IN2O3S and a molecular weight of 286.05 g/mol. Its IUPAC name is (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite.

Molecular Properties

Compound Name(2-nitro-1,3-thiazol-5-yl)methyl hypoiodite
PubChem CID118550512
Molecular FormulaC4H3IN2O3S
Molecular Weight286.05 g/mol
Exact Mass285.89
IUPAC Name(2-nitro-1,3-thiazol-5-yl)methyl hypoiodite
SMILESO=[N+]([O-])c1ncc(COI)s1
InChIInChI=1S/C4H3IN2O3S/c5-10-2-3-1-6-4(11-3)7(8)9/h1H,2H2
InChIKeyGJJWMRGCJRWULQ-UHFFFAOYSA-N
XLogP1.92
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite?
The IUPAC name of (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite (CID 118550512) is (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite.
What is the SMILES notation for (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite?
The canonical SMILES for (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite is O=[N+]([O-])c1ncc(COI)s1.
What is the InChIKey of (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite?
The InChIKey is GJJWMRGCJRWULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2O3S/c5-10-2-3-1-6-4(11-3)7(8)9/h1H,2H2.
What are the key properties of (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite?
(2-nitro-1,3-thiazol-5-yl)methyl hypoiodite has a molecular weight of 286.05 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-1,3-thiazol-5-yl)methyl hypoiodite is sourced from PubChem (CID 118550512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).