N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide

C8H8N4O2S — CID 63824471

IUPACN-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
SMILESN#CCNC(=O)C(=O)NCc1cscn1
InChIInChI=1S/C8H8N4O2S/c9-1-2-10-7(13)8(14)11-3-6-4-15-5-12-6/h4-5H,2-3H2,(H,10,13)(H,11,14)
InChIKeyWNRWMAPCURSLFL-UHFFFAOYSA-N
MW224.24 g/mol
LogP-0.60
Rot. Bonds3

About N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide

N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide (PubChem CID 63824471) has the molecular formula C8H8N4O2S and a molecular weight of 224.24 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
PubChem CID63824471
Molecular FormulaC8H8N4O2S
Molecular Weight224.24 g/mol
Exact Mass224.04
IUPAC NameN-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
SMILESN#CCNC(=O)C(=O)NCc1cscn1
InChIInChI=1S/C8H8N4O2S/c9-1-2-10-7(13)8(14)11-3-6-4-15-5-12-6/h4-5H,2-3H2,(H,10,13)(H,11,14)
InChIKeyWNRWMAPCURSLFL-UHFFFAOYSA-N
XLogP-0.60
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
N-(1,3-thiazol-4-ylmethyl)but-2-enamide
CID 78986565
N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193
1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823756
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide (CID 63824471) is N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide is N#CCNC(=O)C(=O)NCc1cscn1.
What is the InChIKey of N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide?
The InChIKey is WNRWMAPCURSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-1-2-10-7(13)8(14)11-3-6-4-15-5-12-6/h4-5H,2-3H2,(H,10,13)(H,11,14).
What are the key properties of N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide?
N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide has a molecular weight of 224.24 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide is sourced from PubChem (CID 63824471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).