N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide

C13H13N3O3S — CID 2926552

IUPACN-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C13H13N3O3S/c1-19-10-5-3-2-4-9(10)8-15-11(17)12(18)16-13-14-6-7-20-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyZYTYFBOJCBFBIF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.41
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide

N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 2926552) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID2926552
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C13H13N3O3S/c1-19-10-5-3-2-4-9(10)8-15-11(17)12(18)16-13-14-6-7-20-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyZYTYFBOJCBFBIF-UHFFFAOYSA-N
XLogP1.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.41
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

N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 18588609
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide (CID 2926552) is N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide is COc1ccccc1CNC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is ZYTYFBOJCBFBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-19-10-5-3-2-4-9(10)8-15-11(17)12(18)16-13-14-6-7-20-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 291.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 2926552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).