(4,5-diphenyl-1,3-thiazol-2-yl)methanone

C16H10NOS+ — CID 59799420

IUPAC(4,5-diphenyl-1,3-thiazol-2-yl)methanone
SMILESO=[C+]c1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H10NOS/c18-11-14-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10H/q+1
InChIKeyQMEHVFYALBDEMK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.93
Rot. Bonds3

About (4,5-diphenyl-1,3-thiazol-2-yl)methanone

(4,5-diphenyl-1,3-thiazol-2-yl)methanone (PubChem CID 59799420) has the molecular formula C16H10NOS+ and a molecular weight of 264.33 g/mol. Its IUPAC name is (4,5-diphenyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4,5-diphenyl-1,3-thiazol-2-yl)methanone
PubChem CID59799420
Molecular FormulaC16H10NOS+
Molecular Weight264.33 g/mol
Exact Mass264.05
IUPAC Name(4,5-diphenyl-1,3-thiazol-2-yl)methanone
SMILESO=[C+]c1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H10NOS/c18-11-14-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10H/q+1
InChIKeyQMEHVFYALBDEMK-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (4,5-diphenyl-1,3-thiazol-2-yl)methanone (CID 59799420) is (4,5-diphenyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4,5-diphenyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4,5-diphenyl-1,3-thiazol-2-yl)methanone is O=[C+]c1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of (4,5-diphenyl-1,3-thiazol-2-yl)methanone?
The InChIKey is QMEHVFYALBDEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10NOS/c18-11-14-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10H/q+1.
What are the key properties of (4,5-diphenyl-1,3-thiazol-2-yl)methanone?
(4,5-diphenyl-1,3-thiazol-2-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 59799420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).