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

C9H13N3O2S — CID 3122898

IUPACN-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C9H13N3O2S/c1-6(2)5-11-7(13)8(14)12-9-10-3-4-15-9/h3-4,6H,5H2,1-2H3,(H,11,13)(H,10,12,14)
InChIKeyOBWDXPXRKSKEBH-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.85
Rot. Bonds3

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

N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 3122898) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID3122898
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1nccs1
InChIInChI=1S/C9H13N3O2S/c1-6(2)5-11-7(13)8(14)12-9-10-3-4-15-9/h3-4,6H,5H2,1-2H3,(H,11,13)(H,10,12,14)
InChIKeyOBWDXPXRKSKEBH-UHFFFAOYSA-N
XLogP0.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.85
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-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 3122898) is N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide is CC(C)CNC(=O)C(=O)Nc1nccs1.
What is the InChIKey of N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is OBWDXPXRKSKEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(2)5-11-7(13)8(14)12-9-10-3-4-15-9/h3-4,6H,5H2,1-2H3,(H,11,13)(H,10,12,14).
What are the key properties of N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 227.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 3122898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).