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

C23H26N4O2S — CID 167643351

IUPACethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC.CC.O=C(Nc1nccs1)C(c1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H14N4O2S.2C2H6/c24-17(22-19-20-10-11-26-19)16(13-6-2-1-3-7-13)23-12-21-15-9-5-4-8-14(15)18(23)25;2*1-2/h1-12,16H,(H,20,22,24);2*1-2H3
InChIKeyPMIIXJCRWJVDNC-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.13
Rot. Bonds4

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

ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 167643351) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID167643351
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Nameethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC.CC.O=C(Nc1nccs1)C(c1ccccc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C19H14N4O2S.2C2H6/c24-17(22-19-20-10-11-26-19)16(13-6-2-1-3-7-13)23-12-21-15-9-5-4-8-14(15)18(23)25;2*1-2/h1-12,16H,(H,20,22,24);2*1-2H3
InChIKeyPMIIXJCRWJVDNC-UHFFFAOYSA-N
XLogP5.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide
CID 164828984
4-[[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]butanoic acid
CID 4836394
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
(2R)-2-(6-hydroxyindazol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 175779663
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23914436
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356853
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 167643351) is ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is CC.CC.O=C(Nc1nccs1)C(c1ccccc1)n1cnc2ccccc2c1=O.
What is the InChIKey of ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PMIIXJCRWJVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S.2C2H6/c24-17(22-19-20-10-11-26-19)16(13-6-2-1-3-7-13)23-12-21-15-9-5-4-8-14(15)18(23)25;2*1-2/h1-12,16H,(H,20,22,24);2*1-2H3.
What are the key properties of ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167643351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).