2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H10N4O2S — CID 839811

IUPAC2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nccs1
InChIInChI=1S/C13H10N4O2S/c18-11(16-13-14-5-6-20-13)7-17-8-15-10-4-2-1-3-9(10)12(17)19/h1-6,8H,7H2,(H,14,16,18)
InChIKeyDAMIJSLGTNAKBY-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 839811) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID839811
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nccs1
InChIInChI=1S/C13H10N4O2S/c18-11(16-13-14-5-6-20-13)7-17-8-15-10-4-2-1-3-9(10)12(17)19/h1-6,8H,7H2,(H,14,16,18)
InChIKeyDAMIJSLGTNAKBY-UHFFFAOYSA-N
XLogP1.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 839811) is 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1nccs1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DAMIJSLGTNAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-11(16-13-14-5-6-20-13)7-17-8-15-10-4-2-1-3-9(10)12(17)19/h1-6,8H,7H2,(H,14,16,18).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 286.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 839811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).