4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

C19H15N3O2S2 — CID 2448859

IUPAC4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)c2ccccc2N1
InChIInChI=1S/C19H15N3O2S2/c23-17-10-22(16-9-5-4-8-14(16)20-17)18(24)12-26-19-21-15(11-25-19)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,23)
InChIKeyWHIZKCZJXOMSMC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.89
Rot. Bonds4

About 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2448859) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2448859
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)c2ccccc2N1
InChIInChI=1S/C19H15N3O2S2/c23-17-10-22(16-9-5-4-8-14(16)20-17)18(24)12-26-19-21-15(11-25-19)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,23)
InChIKeyWHIZKCZJXOMSMC-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 2448859) is 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CSc2nc(-c3ccccc3)cs2)c2ccccc2N1.
What is the InChIKey of 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WHIZKCZJXOMSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-17-10-22(16-9-5-4-8-14(16)20-17)18(24)12-26-19-21-15(11-25-19)13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,23).
What are the key properties of 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2448859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).