N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C21H18N4O2S — CID 108727285

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-13-22-19(12-28-13)14-6-8-15(9-7-14)23-20(26)11-10-18-21(27)25-17-5-3-2-4-16(17)24-18/h2-9,12H,10-11H2,1H3,(H,23,26)(H,25,27)
InChIKeySVPVLGLRAIKPEO-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 108727285) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID108727285
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-13-22-19(12-28-13)14-6-8-15(9-7-14)23-20(26)11-10-18-21(27)25-17-5-3-2-4-16(17)24-18/h2-9,12H,10-11H2,1H3,(H,23,26)(H,25,27)
InChIKeySVPVLGLRAIKPEO-UHFFFAOYSA-N
XLogP3.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108725415
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108733420
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742100
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110744697
N-(4-cyclohexylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164724
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 108727285) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is Cc1nc(-c2ccc(NC(=O)CCc3nc4ccccc4[nH]c3=O)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is SVPVLGLRAIKPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-22-19(12-28-13)14-6-8-15(9-7-14)23-20(26)11-10-18-21(27)25-17-5-3-2-4-16(17)24-18/h2-9,12H,10-11H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 390.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 108727285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).