4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole

C10H5F3N2O2S — CID 14967784

IUPAC4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2ncsc2C(F)(F)F)cc1
InChIInChI=1S/C10H5F3N2O2S/c11-10(12,13)9-8(14-5-18-9)6-1-3-7(4-2-6)15(16)17/h1-5H
InChIKeyOGVJBNNGSIEZTR-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.74
Rot. Bonds2

About 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole

4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 14967784) has the molecular formula C10H5F3N2O2S and a molecular weight of 274.22 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole
PubChem CID14967784
Molecular FormulaC10H5F3N2O2S
Molecular Weight274.22 g/mol
Exact Mass274.00
IUPAC Name4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(-c2ncsc2C(F)(F)F)cc1
InChIInChI=1S/C10H5F3N2O2S/c11-10(12,13)9-8(14-5-18-9)6-1-3-7(4-2-6)15(16)17/h1-5H
InChIKeyOGVJBNNGSIEZTR-UHFFFAOYSA-N
XLogP3.74
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.74
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 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole (CID 14967784) is 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole is O=[N+]([O-])c1ccc(-c2ncsc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OGVJBNNGSIEZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2S/c11-10(12,13)9-8(14-5-18-9)6-1-3-7(4-2-6)15(16)17/h1-5H.
What are the key properties of 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole?
4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 274.22 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 14967784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).