5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one

C18H11BrN2OS — CID 12773434

IUPAC5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)SC1c1nc2ccccc2cc1Br
InChIInChI=1S/C18H11BrN2OS/c19-13-10-12-8-4-5-9-14(12)20-15(13)16-17(22)21-18(23-16)11-6-2-1-3-7-11/h1-10,16H
InChIKeyZMZBPGJFWHZUNU-UHFFFAOYSA-N
MW383.27 g/mol
LogP4.76
Rot. Bonds2

About 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one

5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one (PubChem CID 12773434) has the molecular formula C18H11BrN2OS and a molecular weight of 383.27 g/mol. Its IUPAC name is 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one
PubChem CID12773434
Molecular FormulaC18H11BrN2OS
Molecular Weight383.27 g/mol
Exact Mass381.98
IUPAC Name5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)SC1c1nc2ccccc2cc1Br
InChIInChI=1S/C18H11BrN2OS/c19-13-10-12-8-4-5-9-14(12)20-15(13)16-17(22)21-18(23-16)11-6-2-1-3-7-11/h1-10,16H
InChIKeyZMZBPGJFWHZUNU-UHFFFAOYSA-N
XLogP4.76
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one (CID 12773434) is 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)SC1c1nc2ccccc2cc1Br.
What is the InChIKey of 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one?
The InChIKey is ZMZBPGJFWHZUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2OS/c19-13-10-12-8-4-5-9-14(12)20-15(13)16-17(22)21-18(23-16)11-6-2-1-3-7-11/h1-10,16H.
What are the key properties of 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one?
5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one has a molecular weight of 383.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoquinolin-2-yl)-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 12773434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).