N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

C7H11N3O2S — CID 71807131

IUPACN-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-5-9-7(13-10-5)6(11)8-3-4-12-2/h3-4H2,1-2H3,(H,8,11)
InChIKeyLZQFRFVGJSUCPO-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.22
Rot. Bonds4

About N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807131) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807131
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-5-9-7(13-10-5)6(11)8-3-4-12-2/h3-4H2,1-2H3,(H,8,11)
InChIKeyLZQFRFVGJSUCPO-UHFFFAOYSA-N
XLogP0.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-isopropoxypropyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807132
N-[2-(2-Hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807136
N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
3-methyl-N-(3-morpholinopropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807142
N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 131185475
N-(2-methoxyethyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 113943989
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 130629023
3-(Methoxymethyl)-1,2,4-thiadiazole-5-carboxamide
CID 67486244
Ethyl 3-(aminomethyl)-1,2,4-thiadiazole-5-carboxylate
CID 98041380
N,3-dimethyl-1,2,4-thiadiazole-5-carboxamide
CID 130991171
5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
CID 135170511
N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
CID 135170512

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807131) is N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is COCCNC(=O)c1nc(C)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is LZQFRFVGJSUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5-9-7(13-10-5)6(11)8-3-4-12-2/h3-4H2,1-2H3,(H,8,11).
What are the key properties of N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).