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

C12H11N3O2S — CID 2255346

IUPACN-benzyl-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H11N3O2S/c16-10(11(17)15-12-13-6-7-18-12)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,16)(H,13,15,17)
InChIKeyLUTGLJSHMVRPAY-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.40
Rot. Bonds3

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

N-benzyl-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 2255346) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-benzyl-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID2255346
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-benzyl-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H11N3O2S/c16-10(11(17)15-12-13-6-7-18-12)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,16)(H,13,15,17)
InChIKeyLUTGLJSHMVRPAY-UHFFFAOYSA-N
XLogP1.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.40
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

N-2-Thiazolylbenzamide
CID 569547
1-Benzyl-3-thiazol-2-yl-thiourea
CID 700723
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
N-(pyridin-4-ylmethyl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 564741
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-(pyridin-3-ylmethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1963831
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
N-Benzyl-N'-(4-phenyl-thiazol-2-yl)-oxalamide
CID 1830730
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-benzyl-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-benzyl-N'-(1,3-thiazol-2-yl)oxamide (CID 2255346) is N-benzyl-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-benzyl-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-benzyl-N'-(1,3-thiazol-2-yl)oxamide is O=C(NCc1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of N-benzyl-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is LUTGLJSHMVRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-10(11(17)15-12-13-6-7-18-12)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,16)(H,13,15,17).
What are the key properties of N-benzyl-N'-(1,3-thiazol-2-yl)oxamide?
N-benzyl-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 261.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 2255346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).