N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide

C13H16N4O2S — CID 108529070

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H16N4O2S/c1-17(2)10-5-3-4-9(8-10)15-11(18)12(19)16-13-14-6-7-20-13/h3-5,8H,6-7H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyJRYIQWBIZDJEJD-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.91
Rot. Bonds2

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide (PubChem CID 108529070) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
PubChem CID108529070
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1cccc(NC(=O)C(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H16N4O2S/c1-17(2)10-5-3-4-9(8-10)15-11(18)12(19)16-13-14-6-7-20-13/h3-5,8H,6-7H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyJRYIQWBIZDJEJD-UHFFFAOYSA-N
XLogP0.91
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide 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'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108508411
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529126
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057668
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
CID 67730537

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide (CID 108529070) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide is CN(C)c1cccc(NC(=O)C(=O)NC2=NCCS2)c1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide?
The InChIKey is JRYIQWBIZDJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)10-5-3-4-9(8-10)15-11(18)12(19)16-13-14-6-7-20-13/h3-5,8H,6-7H2,1-2H3,(H,15,18)(H,14,16,19).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide has a molecular weight of 292.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108529070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).