N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide

C16H19N3O2S — CID 108512119

IUPACN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C16H19N3O2S/c1-5-12-8-6-7-9(2)13(12)18-14(20)15(21)19-16-17-10(3)11(4)22-16/h6-8H,5H2,1-4H3,(H,18,20)(H,17,19,21)
InChIKeyBWAXBCBXTIXNDH-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.21
Rot. Bonds3

About N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide

N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide (PubChem CID 108512119) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
PubChem CID108512119
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C16H19N3O2S/c1-5-12-8-6-7-9(2)13(12)18-14(20)15(21)19-16-17-10(3)11(4)22-16/h6-8H,5H2,1-4H3,(H,18,20)(H,17,19,21)
InChIKeyBWAXBCBXTIXNDH-UHFFFAOYSA-N
XLogP3.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)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,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-amino-N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793049
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
CID 18154999
N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108512068
N'-(2-ethyl-6-methylphenyl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108512163
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide?
The IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide (CID 108512119) is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide?
The canonical SMILES for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide?
The InChIKey is BWAXBCBXTIXNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-5-12-8-6-7-9(2)13(12)18-14(20)15(21)19-16-17-10(3)11(4)22-16/h6-8H,5H2,1-4H3,(H,18,20)(H,17,19,21).
What are the key properties of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide?
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide has a molecular weight of 317.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide is sourced from PubChem (CID 108512119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).