N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide

C6H9N3O2S — CID 108526178

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C6H9N3O2S/c1-7-4(10)5(11)9-6-8-2-3-12-6/h2-3H2,1H3,(H,7,10)(H,8,9,11)
InChIKeyBCQNHJYORCHABV-UHFFFAOYSA-N
MW187.22 g/mol
LogP-1.05
Rot. Bonds

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide (PubChem CID 108526178) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide
PubChem CID108526178
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C6H9N3O2S/c1-7-4(10)5(11)9-6-8-2-3-12-6/h2-3H2,1H3,(H,7,10)(H,8,9,11)
InChIKeyBCQNHJYORCHABV-UHFFFAOYSA-N
XLogP-1.05
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.05
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'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide (CID 108526178) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide is CNC(=O)C(=O)NC1=NCCS1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide?
The InChIKey is BCQNHJYORCHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-7-4(10)5(11)9-6-8-2-3-12-6/h2-3H2,1H3,(H,7,10)(H,8,9,11).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide has a molecular weight of 187.22 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide is sourced from PubChem (CID 108526178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).