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

C7H11N3O2S2 — CID 54348711

IUPACN-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(SC)s1
InChIInChI=1S/C7H11N3O2S2/c1-12-4-3-8-5(11)6-9-10-7(13-2)14-6/h3-4H2,1-2H3,(H,8,11)
InChIKeyUEDNJZNQPAHHCI-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.64
Rot. Bonds5

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

N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 54348711) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID54348711
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC NameN-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCNC(=O)c1nnc(SC)s1
InChIInChI=1S/C7H11N3O2S2/c1-12-4-3-8-5(11)6-9-10-7(13-2)14-6/h3-4H2,1-2H3,(H,8,11)
InChIKeyUEDNJZNQPAHHCI-UHFFFAOYSA-N
XLogP0.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide (CID 54348711) is N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide is COCCNC(=O)c1nnc(SC)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UEDNJZNQPAHHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-12-4-3-8-5(11)6-9-10-7(13-2)14-6/h3-4H2,1-2H3,(H,8,11).
What are the key properties of N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide?
N-(2-methoxyethyl)-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 233.32 g/mol, XLogP of 0.64, 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-methylsulfanyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 54348711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).