N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide

C13H13N3O2S — CID 2585060

IUPACN-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)8-15-11(17)12(18)16-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyOHPBVIYSDIHFKK-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.71
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide

N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 2585060) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID2585060
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)8-15-11(17)12(18)16-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18)
InChIKeyOHPBVIYSDIHFKK-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide (CID 2585060) is N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide is Cc1ccc(CNC(=O)C(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is OHPBVIYSDIHFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)8-15-11(17)12(18)16-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,15,17)(H,14,16,18).
What are the key properties of N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide?
N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 275.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 2585060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).