(4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone

C10H5FN2O3S — CID 91622014

IUPAC(4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H5FN2O3S/c11-7-3-1-6(2-4-7)9(14)10-12-5-8(17-10)13(15)16/h1-5H
InChIKeyUBEUCJVHCJWINI-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.42
Rot. Bonds3

About (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone

(4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone (PubChem CID 91622014) has the molecular formula C10H5FN2O3S and a molecular weight of 252.23 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone
PubChem CID91622014
Molecular FormulaC10H5FN2O3S
Molecular Weight252.23 g/mol
Exact Mass252.00
IUPAC Name(4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C10H5FN2O3S/c11-7-3-1-6(2-4-7)9(14)10-12-5-8(17-10)13(15)16/h1-5H
InChIKeyUBEUCJVHCJWINI-UHFFFAOYSA-N
XLogP2.42
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone (CID 91622014) is (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone is O=C(c1ccc(F)cc1)c1ncc([N+](=O)[O-])s1.
What is the InChIKey of (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone?
The InChIKey is UBEUCJVHCJWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O3S/c11-7-3-1-6(2-4-7)9(14)10-12-5-8(17-10)13(15)16/h1-5H.
What are the key properties of (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone?
(4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone has a molecular weight of 252.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-nitro-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91622014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).