2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

C11H12N4O2S2 — CID 2464271

IUPAC2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nc(SC)ns1
InChIInChI=1S/C11H12N4O2S2/c1-3-17-9-7(5-4-6-12-9)8(16)13-10-14-11(18-2)15-19-10/h4-6H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyHHGZRQQVICQKJQ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.31
Rot. Bonds5

About 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 2464271) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID2464271
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nc(SC)ns1
InChIInChI=1S/C11H12N4O2S2/c1-3-17-9-7(5-4-6-12-9)8(16)13-10-14-11(18-2)15-19-10/h4-6H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyHHGZRQQVICQKJQ-UHFFFAOYSA-N
XLogP2.31
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 2464271) is 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1nc(SC)ns1.
What is the InChIKey of 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is HHGZRQQVICQKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-3-17-9-7(5-4-6-12-9)8(16)13-10-14-11(18-2)15-19-10/h4-6H,3H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 296.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2464271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).