5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide

C9H14ClN3O2S — CID 80618523

IUPAC5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H14ClN3O2S/c1-3-13(5-6-15-4-2)8(14)7-11-12-9(10)16-7/h3-6H2,1-2H3
InChIKeyBKJNHMXJEVZLJP-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.69
Rot. Bonds6

About 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618523) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618523
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCCN(CC)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H14ClN3O2S/c1-3-13(5-6-15-4-2)8(14)7-11-12-9(10)16-7/h3-6H2,1-2H3
InChIKeyBKJNHMXJEVZLJP-UHFFFAOYSA-N
XLogP1.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.69
H-Bond Donors ≤ 50
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 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide (CID 80618523) is 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide is CCOCCN(CC)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BKJNHMXJEVZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-3-13(5-6-15-4-2)8(14)7-11-12-9(10)16-7/h3-6H2,1-2H3.
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 263.75 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).