N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide

C12H11N3O3S — CID 45000900

IUPACN-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H11N3O3S/c1-18-9-4-2-8(3-5-9)14-10(16)11(17)15-12-13-6-7-19-12/h2-7H,1H3,(H,14,16)(H,13,15,17)
InChIKeyFXKUCLVGRBOQKI-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.73
Rot. Bonds3

About N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 45000900) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID45000900
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H11N3O3S/c1-18-9-4-2-8(3-5-9)14-10(16)11(17)15-12-13-6-7-19-12/h2-7H,1H3,(H,14,16)(H,13,15,17)
InChIKeyFXKUCLVGRBOQKI-UHFFFAOYSA-N
XLogP1.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-(4-methoxyphenyl)-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048712
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 17034258
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
[4-[[2-oxo-2-(1,3-thiazol-2-ylamino)acetyl]amino]phenyl] thiocyanate
CID 108520026
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16879227
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 143671145

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 45000900) is N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide is COc1ccc(NC(=O)C(=O)Nc2nccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is FXKUCLVGRBOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-18-9-4-2-8(3-5-9)14-10(16)11(17)15-12-13-6-7-19-12/h2-7H,1H3,(H,14,16)(H,13,15,17).
What are the key properties of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 277.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 45000900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).