[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone

C23H16N2O2S — CID 10110569

IUPAC[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
SMILESNc1nc(-c2ccccc2)sc1C(=O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H16N2O2S/c24-22-21(28-23(25-22)16-10-5-2-6-11-16)20(27)18-13-7-12-17(14-18)19(26)15-8-3-1-4-9-15/h1-14H,24H2
InChIKeyHRACEBWDUKOGMP-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.85
Rot. Bonds5

About [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone

[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone (PubChem CID 10110569) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
PubChem CID10110569
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC Name[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone
SMILESNc1nc(-c2ccccc2)sc1C(=O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H16N2O2S/c24-22-21(28-23(25-22)16-10-5-2-6-11-16)20(27)18-13-7-12-17(14-18)19(26)15-8-3-1-4-9-15/h1-14H,24H2
InChIKeyHRACEBWDUKOGMP-UHFFFAOYSA-N
XLogP4.85
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone (CID 10110569) is [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone is Nc1nc(-c2ccccc2)sc1C(=O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone?
The InChIKey is HRACEBWDUKOGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c24-22-21(28-23(25-22)16-10-5-2-6-11-16)20(27)18-13-7-12-17(14-18)19(26)15-8-3-1-4-9-15/h1-14H,24H2.
What are the key properties of [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone?
[3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone has a molecular weight of 384.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-2-phenyl-1,3-thiazole-5-carbonyl)phenyl]-phenylmethanone is sourced from PubChem (CID 10110569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).