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

C7H11N3O3S2 — CID 54200270

IUPACN-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(S(C)=O)s1
InChIInChI=1S/C7H11N3O3S2/c1-13-4-3-8-5(11)6-9-10-7(14-6)15(2)12/h3-4H2,1-2H3,(H,8,11)
InChIKeyPOSRVYLJVWTFQE-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.35
Rot. Bonds5

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

N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 54200270) has the molecular formula C7H11N3O3S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID54200270
Molecular FormulaC7H11N3O3S2
Molecular Weight249.32 g/mol
Exact Mass249.02
IUPAC NameN-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(S(C)=O)s1
InChIInChI=1S/C7H11N3O3S2/c1-13-4-3-8-5(11)6-9-10-7(14-6)15(2)12/h3-4H2,1-2H3,(H,8,11)
InChIKeyPOSRVYLJVWTFQE-UHFFFAOYSA-N
XLogP-0.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methylsulfonyl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 53708732
N-ethyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
CID 53782650
N-butyl-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide
CID 53785212
5-butylsulfinyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 53881375
N-(3-methoxypropyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 53889760
N-(2-methoxyethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
CID 53899922
5-butylsulfinyl-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 53970252
5-butylsulfonyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 53973657
5-ethylsulfonyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 53979836
5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 54012921
N-(3-methoxypropyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
CID 54060649
5-hexylsulfinyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 54062042

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide (CID 54200270) is N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide is COCCNC(=O)c1nnc(S(C)=O)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is POSRVYLJVWTFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S2/c1-13-4-3-8-5(11)6-9-10-7(14-6)15(2)12/h3-4H2,1-2H3,(H,8,11).
What are the key properties of N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide?
N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methylsulfinyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 54200270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).