4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide

C20H19N5O2S — CID 91419349

IUPAC4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCCN1C(=O)CN(Nc2ccc(C(=O)Nc3nccs3)cc2)c2ccccc21
InChIInChI=1S/C20H19N5O2S/c1-2-24-16-5-3-4-6-17(16)25(13-18(24)26)23-15-9-7-14(8-10-15)19(27)22-20-21-11-12-28-20/h3-12,23H,2,13H2,1H3,(H,21,22,27)
InChIKeyRXVLMUURXAEFAC-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.60
Rot. Bonds5

About 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide

4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 91419349) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID91419349
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCCN1C(=O)CN(Nc2ccc(C(=O)Nc3nccs3)cc2)c2ccccc21
InChIInChI=1S/C20H19N5O2S/c1-2-24-16-5-3-4-6-17(16)25(13-18(24)26)23-15-9-7-14(8-10-15)19(27)22-20-21-11-12-28-20/h3-12,23H,2,13H2,1H3,(H,21,22,27)
InChIKeyRXVLMUURXAEFAC-UHFFFAOYSA-N
XLogP3.60
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide 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

N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 1120366
4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361496
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,2-oxazol-3-yl)benzamide
CID 90794572
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
5-oxo-1-(pyridin-2-ylmethyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55874028
3-(2-methylpropyl)-4-oxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]phthalazine-1-carboxamide
CID 55669577
(7S)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95981281
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 91419349) is 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide is CCN1C(=O)CN(Nc2ccc(C(=O)Nc3nccs3)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is RXVLMUURXAEFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-2-24-16-5-3-4-6-17(16)25(13-18(24)26)23-15-9-7-14(8-10-15)19(27)22-20-21-11-12-28-20/h3-12,23H,2,13H2,1H3,(H,21,22,27).
What are the key properties of 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 393.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-oxo-2H-quinoxalin-1-yl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 91419349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).