N-(2-methoxyethyl)thiadiazole-5-carboxamide

C6H9N3O2S — CID 146618257

IUPACN-(2-methoxyethyl)thiadiazole-5-carboxamide
SMILESCOCCNC(=O)c1cnns1
InChIInChI=1S/C6H9N3O2S/c1-11-3-2-7-6(10)5-4-8-9-12-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyGIUXDIFLZYTJEI-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.09
Rot. Bonds4

About N-(2-methoxyethyl)thiadiazole-5-carboxamide

N-(2-methoxyethyl)thiadiazole-5-carboxamide (PubChem CID 146618257) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)thiadiazole-5-carboxamide
PubChem CID146618257
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-(2-methoxyethyl)thiadiazole-5-carboxamide
SMILESCOCCNC(=O)c1cnns1
InChIInChI=1S/C6H9N3O2S/c1-11-3-2-7-6(10)5-4-8-9-12-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyGIUXDIFLZYTJEI-UHFFFAOYSA-N
XLogP-0.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.09
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)thiadiazole-5-carboxamide (CID 146618257) is N-(2-methoxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)thiadiazole-5-carboxamide is COCCNC(=O)c1cnns1.
What is the InChIKey of N-(2-methoxyethyl)thiadiazole-5-carboxamide?
The InChIKey is GIUXDIFLZYTJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-11-3-2-7-6(10)5-4-8-9-12-5/h4H,2-3H2,1H3,(H,7,10).
What are the key properties of N-(2-methoxyethyl)thiadiazole-5-carboxamide?
N-(2-methoxyethyl)thiadiazole-5-carboxamide has a molecular weight of 187.22 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 146618257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).