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

C20H16N4O2S — CID 1085004

IUPAC3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16N4O2S/c25-18(23-20-22-17(12-27-20)14-6-2-1-3-7-14)10-11-24-13-21-16-9-5-4-8-15(16)19(24)26/h1-9,12-13H,10-11H2,(H,22,23,25)
InChIKeyCJKKVDUUMRBKKZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.55
Rot. Bonds5

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

3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 1085004) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID1085004
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H16N4O2S/c25-18(23-20-22-17(12-27-20)14-6-2-1-3-7-14)10-11-24-13-21-16-9-5-4-8-15(16)19(24)26/h1-9,12-13H,10-11H2,(H,22,23,25)
InChIKeyCJKKVDUUMRBKKZ-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

Analyze 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 1085004) is 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CJKKVDUUMRBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-18(23-20-22-17(12-27-20)14-6-2-1-3-7-14)10-11-24-13-21-16-9-5-4-8-15(16)19(24)26/h1-9,12-13H,10-11H2,(H,22,23,25).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)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-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 1085004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).