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

C15H10N2O2S — CID 847322

IUPAC4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H10N2O2S/c18-17(19)13-8-4-7-12(9-13)14-10-20-15(16-14)11-5-2-1-3-6-11/h1-10H
InChIKeyMBWKNRYCOTYFMM-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.39
Rot. Bonds3

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

4-(3-nitrophenyl)-2-phenyl-1,3-thiazole (PubChem CID 847322) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
PubChem CID847322
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H10N2O2S/c18-17(19)13-8-4-7-12(9-13)14-10-20-15(16-14)11-5-2-1-3-6-11/h1-10H
InChIKeyMBWKNRYCOTYFMM-UHFFFAOYSA-N
XLogP4.39
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.39
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
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
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
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
4-(3-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
CID 9174104
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole (CID 847322) is 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole is O=[N+]([O-])c1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole?
The InChIKey is MBWKNRYCOTYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-17(19)13-8-4-7-12(9-13)14-10-20-15(16-14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole?
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole has a molecular weight of 282.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 847322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).