3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

C20H16N4O2S — CID 55991229

IUPAC3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C20H16N4O2S/c25-18-13-22-24(17-7-2-1-6-16(17)18)10-8-19(26)23-15-5-3-4-14(12-15)20-21-9-11-27-20/h1-7,9,11-13H,8,10H2,(H,23,26)
InChIKeyURAYWRQAVKQEEJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.55
Rot. Bonds5

About 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 55991229) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID55991229
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C20H16N4O2S/c25-18-13-22-24(17-7-2-1-6-16(17)18)10-8-19(26)23-15-5-3-4-14(12-15)20-21-9-11-27-20/h1-7,9,11-13H,8,10H2,(H,23,26)
InChIKeyURAYWRQAVKQEEJ-UHFFFAOYSA-N
XLogP3.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (CID 55991229) is 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is URAYWRQAVKQEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-18-13-22-24(17-7-2-1-6-16(17)18)10-8-19(26)23-15-5-3-4-14(12-15)20-21-9-11-27-20/h1-7,9,11-13H,8,10H2,(H,23,26).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 376.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 55991229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).