4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide

C11H12N4OS — CID 24512528

IUPAC4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccccn1
InChIInChI=1S/C11H12N4OS/c1-2-9-10(17-15-14-9)11(16)13-7-8-5-3-4-6-12-8/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyAVUUEKSSYNWNNI-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.43
Rot. Bonds4

About 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide

4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 24512528) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID24512528
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccccn1
InChIInChI=1S/C11H12N4OS/c1-2-9-10(17-15-14-9)11(16)13-7-8-5-3-4-6-12-8/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyAVUUEKSSYNWNNI-UHFFFAOYSA-N
XLogP1.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide (CID 24512528) is 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccccn1.
What is the InChIKey of 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is AVUUEKSSYNWNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-2-9-10(17-15-14-9)11(16)13-7-8-5-3-4-6-12-8/h3-6H,2,7H2,1H3,(H,13,16).
What are the key properties of 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 24512528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).