5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole

C16H9F3N4S — CID 134908343

IUPAC5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole
SMILES[N-]=[N+]=Nc1sc(-c2ccc(-c3ccccc3)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H9F3N4S/c17-16(18,19)13-15(22-23-20)24-14(21-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyFODDVDBMARGYAL-UHFFFAOYSA-N
MW346.34 g/mol
LogP6.44
Rot. Bonds3

About 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole

5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 134908343) has the molecular formula C16H9F3N4S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID134908343
Molecular FormulaC16H9F3N4S
Molecular Weight346.34 g/mol
Exact Mass346.05
IUPAC Name5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole
SMILES[N-]=[N+]=Nc1sc(-c2ccc(-c3ccccc3)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H9F3N4S/c17-16(18,19)13-15(22-23-20)24-14(21-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyFODDVDBMARGYAL-UHFFFAOYSA-N
XLogP6.44
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole (CID 134908343) is 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole is [N-]=[N+]=Nc1sc(-c2ccc(-c3ccccc3)cc2)nc1C(F)(F)F.
What is the InChIKey of 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FODDVDBMARGYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4S/c17-16(18,19)13-15(22-23-20)24-14(21-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole?
5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 346.34 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-(4-phenylphenyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 134908343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).