N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide

C₁₃H₁₄N₄O₂S — CID 71864926

About N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide

N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide (PubChem CID 71864926) has the molecular formula C₁₃H₁₄N₄O₂S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
• PubChem CID: 71864926
• Molecular Formula: C₁₃H₁₄N₄O₂S
• Molecular Weight: 290.35 g/mol
• Exact Mass: 290.08
• IUPAC Name: N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
• SMILES: CNC(=O)CNC(=O)Nc1cc(-c2ccccc2)ns1
• InChI: InChI=1S/C13H14N4O2S/c1-14-11(18)8-15-13(19)16-12-7-10(17-20-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,18)(H2,15,16,19)
• InChIKey: MXNPNOVNDUNTQE-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.35
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?

The IUPAC name of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide (CID 71864926) is N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide.

What is the SMILES notation for N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?

The canonical SMILES for N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide is CNC(=O)CNC(=O)Nc1cc(-c2ccccc2)ns1.

What is the InChIKey of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?

The InChIKey is MXNPNOVNDUNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-14-11(18)8-15-13(19)16-12-7-10(17-20-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,18)(H2,15,16,19).

What are the key properties of N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide?

N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide has a molecular weight of 290.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide is sourced from PubChem (CID 71864926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71864926 — identifiers, structure, computed properties (public domain)

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