1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione

C17H11NO2S — CID 141085725

IUPAC1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione
SMILESO=C(C(=O)c1ccccc1-c1nccs1)c1ccccc1
InChIInChI=1S/C17H11NO2S/c19-15(12-6-2-1-3-7-12)16(20)13-8-4-5-9-14(13)17-18-10-11-21-17/h1-11H
InChIKeyBQUGJGFUYCBPLK-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.88
Rot. Bonds4

About 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione

1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione (PubChem CID 141085725) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione
PubChem CID141085725
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione
SMILESO=C(C(=O)c1ccccc1-c1nccs1)c1ccccc1
InChIInChI=1S/C17H11NO2S/c19-15(12-6-2-1-3-7-12)16(20)13-8-4-5-9-14(13)17-18-10-11-21-17/h1-11H
InChIKeyBQUGJGFUYCBPLK-UHFFFAOYSA-N
XLogP3.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
2-(1,3-thiazol-2-yl)benzoyl chloride
CID 21313669
2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918
5-bromo-2-(1,3-thiazol-2-yl)benzoic acid
CID 169450844
2-[5-[(2-methylbenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzoic acid
CID 174473888
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965
1-(4-benzoylpiperazin-1-yl)-2-[4-methyl-7-(1,3-thiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 59069157
2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid
CID 13320599
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 110459394
1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one
CID 11459995
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione (CID 141085725) is 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione is O=C(C(=O)c1ccccc1-c1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione?
The InChIKey is BQUGJGFUYCBPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c19-15(12-6-2-1-3-7-12)16(20)13-8-4-5-9-14(13)17-18-10-11-21-17/h1-11H.
What are the key properties of 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione?
1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione has a molecular weight of 293.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione is sourced from PubChem (CID 141085725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).