N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide

C11H18N5O3S+ — CID 9402813

IUPACN'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCc1nnc(NC(=O)C(=O)NCC[NH+]2CCOCC2)s1
InChIInChI=1S/C11H17N5O3S/c1-8-14-15-11(20-8)13-10(18)9(17)12-2-3-16-4-6-19-7-5-16/h2-7H2,1H3,(H,12,17)(H,13,15,18)/p+1
InChIKeyTZCAVBUBCPSCAB-UHFFFAOYSA-O
MW300.36 g/mol
LogP-2.18
Rot. Bonds4

About N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide

N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide (PubChem CID 9402813) has the molecular formula C11H18N5O3S+ and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
PubChem CID9402813
Molecular FormulaC11H18N5O3S+
Molecular Weight300.36 g/mol
Exact Mass300.11
IUPAC NameN'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCc1nnc(NC(=O)C(=O)NCC[NH+]2CCOCC2)s1
InChIInChI=1S/C11H17N5O3S/c1-8-14-15-11(20-8)13-10(18)9(17)12-2-3-16-4-6-19-7-5-16/h2-7H2,1H3,(H,12,17)(H,13,15,18)/p+1
InChIKeyTZCAVBUBCPSCAB-UHFFFAOYSA-O
XLogP-2.18
TPSA97.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)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

N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7585524
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6989665
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
N-(2,6-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)acetamide
CID 8790841
2-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzamide
CID 7349244
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2224635
1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 8538603
N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9403203

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The IUPAC name of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide (CID 9402813) is N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide.
What is the SMILES notation for N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The canonical SMILES for N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide is Cc1nnc(NC(=O)C(=O)NCC[NH+]2CCOCC2)s1.
What is the InChIKey of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The InChIKey is TZCAVBUBCPSCAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N5O3S/c1-8-14-15-11(20-8)13-10(18)9(17)12-2-3-16-4-6-19-7-5-16/h2-7H2,1H3,(H,12,17)(H,13,15,18)/p+1.
What are the key properties of N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide has a molecular weight of 300.36 g/mol, XLogP of -2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide is sourced from PubChem (CID 9402813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).