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

C13H13N3O2S — CID 5096351

IUPACN'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide
SMILESCC(NC(=O)C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c1-9(10-5-3-2-4-6-10)15-11(17)12(18)16-13-14-7-8-19-13/h2-9H,1H3,(H,15,17)(H,14,16,18)
InChIKeyMOPCCSYTRCROGM-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.96
Rot. Bonds3

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

N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide (PubChem CID 5096351) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide
PubChem CID5096351
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide
SMILESCC(NC(=O)C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c1-9(10-5-3-2-4-6-10)15-11(17)12(18)16-13-14-7-8-19-13/h2-9H,1H3,(H,15,17)(H,14,16,18)
InChIKeyMOPCCSYTRCROGM-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 564741
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
N1-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N1-methyl-N3-(thiazol-2-yl)malonamide
CID 11383671
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 1973551
N-(pyridin-3-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1963831
1-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 324089
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide (CID 5096351) is N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide is CC(NC(=O)C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide?
The InChIKey is MOPCCSYTRCROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9(10-5-3-2-4-6-10)15-11(17)12(18)16-13-14-7-8-19-13/h2-9H,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide?
N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide has a molecular weight of 275.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 5096351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).