2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole

C15H9FN2O2S — CID 8964938

IUPAC2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(-c2csc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C15H9FN2O2S/c16-12-5-1-4-11(7-12)15-17-14(9-21-15)10-3-2-6-13(8-10)18(19)20/h1-9H
InChIKeyXRAGGRUJFPLGSY-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.52
Rot. Bonds3

About 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole

2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole (PubChem CID 8964938) has the molecular formula C15H9FN2O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
PubChem CID8964938
Molecular FormulaC15H9FN2O2S
Molecular Weight300.31 g/mol
Exact Mass300.04
IUPAC Name2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(-c2csc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C15H9FN2O2S/c16-12-5-1-4-11(7-12)15-17-14(9-21-15)10-3-2-6-13(8-10)18(19)20/h1-9H
InChIKeyXRAGGRUJFPLGSY-UHFFFAOYSA-N
XLogP4.52
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.52
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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Related Compounds

2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
2-(3-fluorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 51532810
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063
4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1,3-thiazole
CID 135822805
2-(2-fluorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 51532819

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole?
The IUPAC name of 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole (CID 8964938) is 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole is O=[N+]([O-])c1cccc(-c2csc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole?
The InChIKey is XRAGGRUJFPLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S/c16-12-5-1-4-11(7-12)15-17-14(9-21-15)10-3-2-6-13(8-10)18(19)20/h1-9H.
What are the key properties of 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole?
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole has a molecular weight of 300.31 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole is sourced from PubChem (CID 8964938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).