2-chloro-5-fluoro-4-nitro-1,3-thiazole

C3ClFN2O2S — CID 139606637

IUPAC2-chloro-5-fluoro-4-nitro-1,3-thiazole
SMILESO=[N+]([O-])c1nc(Cl)sc1F
InChIInChI=1S/C3ClFN2O2S/c4-3-6-2(7(8)9)1(5)10-3
InChIKeyWHSPXGPARCSMER-UHFFFAOYSA-N
MW182.56 g/mol
LogP1.84
Rot. Bonds1

About 2-chloro-5-fluoro-4-nitro-1,3-thiazole

2-chloro-5-fluoro-4-nitro-1,3-thiazole (PubChem CID 139606637) has the molecular formula C3ClFN2O2S and a molecular weight of 182.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-nitro-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-nitro-1,3-thiazole
PubChem CID139606637
Molecular FormulaC3ClFN2O2S
Molecular Weight182.56 g/mol
Exact Mass181.94
IUPAC Name2-chloro-5-fluoro-4-nitro-1,3-thiazole
SMILESO=[N+]([O-])c1nc(Cl)sc1F
InChIInChI=1S/C3ClFN2O2S/c4-3-6-2(7(8)9)1(5)10-3
InChIKeyWHSPXGPARCSMER-UHFFFAOYSA-N
XLogP1.84
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-chloro-5-fluoro-4-nitro-1,3-thiazole?
The IUPAC name of 2-chloro-5-fluoro-4-nitro-1,3-thiazole (CID 139606637) is 2-chloro-5-fluoro-4-nitro-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-fluoro-4-nitro-1,3-thiazole?
The canonical SMILES for 2-chloro-5-fluoro-4-nitro-1,3-thiazole is O=[N+]([O-])c1nc(Cl)sc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-nitro-1,3-thiazole?
The InChIKey is WHSPXGPARCSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClFN2O2S/c4-3-6-2(7(8)9)1(5)10-3.
What are the key properties of 2-chloro-5-fluoro-4-nitro-1,3-thiazole?
2-chloro-5-fluoro-4-nitro-1,3-thiazole has a molecular weight of 182.56 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-nitro-1,3-thiazole is sourced from PubChem (CID 139606637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).