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

C9H11ClN4O2S — CID 80618521

IUPAC5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H11ClN4O2S/c1-16-6-5-14(4-2-3-11)8(15)7-12-13-9(10)17-7/h2,4-6H2,1H3
InChIKeyWTIFKGSYWAGFHF-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.19
Rot. Bonds6

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

5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618521) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618521
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H11ClN4O2S/c1-16-6-5-14(4-2-3-11)8(15)7-12-13-9(10)17-7/h2,4-6H2,1H3
InChIKeyWTIFKGSYWAGFHF-UHFFFAOYSA-N
XLogP1.19
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80618521) is 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide is COCCN(CCC#N)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WTIFKGSYWAGFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-16-6-5-14(4-2-3-11)8(15)7-12-13-9(10)17-7/h2,4-6H2,1H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.73 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).