5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol

C15H10N2O3S — CID 132501495

IUPAC5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol
SMILESO=[N+]([O-])c1ccccc1-c1sc(-c2ccccc2)nc1O
InChIInChI=1S/C15H10N2O3S/c18-14-13(11-8-4-5-9-12(11)17(19)20)21-15(16-14)10-6-2-1-3-7-10/h1-9,18H
InChIKeyIPZAUMFNQRMOBV-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.09
Rot. Bonds3

About 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol

5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol (PubChem CID 132501495) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol
PubChem CID132501495
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol
SMILESO=[N+]([O-])c1ccccc1-c1sc(-c2ccccc2)nc1O
InChIInChI=1S/C15H10N2O3S/c18-14-13(11-8-4-5-9-12(11)17(19)20)21-15(16-14)10-6-2-1-3-7-10/h1-9,18H
InChIKeyIPZAUMFNQRMOBV-UHFFFAOYSA-N
XLogP4.09
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
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 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol?
The IUPAC name of 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol (CID 132501495) is 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol?
The canonical SMILES for 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol is O=[N+]([O-])c1ccccc1-c1sc(-c2ccccc2)nc1O.
What is the InChIKey of 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol?
The InChIKey is IPZAUMFNQRMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-14-13(11-8-4-5-9-12(11)17(19)20)21-15(16-14)10-6-2-1-3-7-10/h1-9,18H.
What are the key properties of 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol?
5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol has a molecular weight of 298.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-2-phenyl-1,3-thiazol-4-ol is sourced from PubChem (CID 132501495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).