N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide

C9H10N4O2S — CID 55136363

IUPACN-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
SMILESCc1nc(NC(=O)C(=O)NCC#N)sc1C
InChIInChI=1S/C9H10N4O2S/c1-5-6(2)16-9(12-5)13-8(15)7(14)11-4-3-10/h4H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyCYRSGJQPLWMOMR-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.34
Rot. Bonds2

About N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide

N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide (PubChem CID 55136363) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
PubChem CID55136363
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
SMILESCc1nc(NC(=O)C(=O)NCC#N)sc1C
InChIInChI=1S/C9H10N4O2S/c1-5-6(2)16-9(12-5)13-8(15)7(14)11-4-3-10/h4H2,1-2H3,(H,11,14)(H,12,13,15)
InChIKeyCYRSGJQPLWMOMR-UHFFFAOYSA-N
XLogP0.34
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.34
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'}

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Related Compounds

1-(cyanomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108864824
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530022
[4-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527795
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529955
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethyl-6-methylphenyl)oxamide
CID 108512119
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methoxypropanoic acid
CID 106109875
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-oxobutyl)urea
CID 108895174
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108529987
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 115432443

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide (CID 55136363) is N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide is Cc1nc(NC(=O)C(=O)NCC#N)sc1C.
What is the InChIKey of N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is CYRSGJQPLWMOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5-6(2)16-9(12-5)13-8(15)7(14)11-4-3-10/h4H2,1-2H3,(H,11,14)(H,12,13,15).
What are the key properties of N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide?
N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 238.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 55136363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).