N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide

C10H11N5O3S — CID 47205516

IUPACN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCc1nnc(NC(=O)C(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C10H11N5O3S/c1-3-7-13-14-10(19-7)12-9(17)8(16)11-6-4-5(2)18-15-6/h4H,3H2,1-2H3,(H,11,15,16)(H,12,14,17)
InChIKeyMJHNHGDIYCPYTG-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.97
Rot. Bonds3

About N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 47205516) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID47205516
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCCc1nnc(NC(=O)C(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C10H11N5O3S/c1-3-7-13-14-10(19-7)12-9(17)8(16)11-6-4-5(2)18-15-6/h4H,3H2,1-2H3,(H,11,15,16)(H,12,14,17)
InChIKeyMJHNHGDIYCPYTG-UHFFFAOYSA-N
XLogP0.97
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
ethyl 2-[5-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 75387743
N'-(2-ethyl-6-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108512068
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
CID 172909172
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 47205516) is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide is CCc1nnc(NC(=O)C(=O)Nc2cc(C)on2)s1.
What is the InChIKey of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is MJHNHGDIYCPYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-3-7-13-14-10(19-7)12-9(17)8(16)11-6-4-5(2)18-15-6/h4H,3H2,1-2H3,(H,11,15,16)(H,12,14,17).
What are the key properties of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide?
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 281.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 47205516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).