3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

C10H8Cl2N4OS — CID 24819412

IUPAC3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H8Cl2N4OS/c1-2-7-15-16-10(18-7)14-9(17)8-5(11)3-4-6(12)13-8/h3-4H,2H2,1H3,(H,14,16,17)
InChIKeyNZDGNNNQKYWXQD-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.05
Rot. Bonds3

About 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 24819412) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID24819412
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(Cl)ccc2Cl)s1
InChIInChI=1S/C10H8Cl2N4OS/c1-2-7-15-16-10(18-7)14-9(17)8-5(11)3-4-6(12)13-8/h3-4H,2H2,1H3,(H,14,16,17)
InChIKeyNZDGNNNQKYWXQD-UHFFFAOYSA-N
XLogP3.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 24819412) is 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is CCc1nnc(NC(=O)c2nc(Cl)ccc2Cl)s1.
What is the InChIKey of 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is NZDGNNNQKYWXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c1-2-7-15-16-10(18-7)14-9(17)8-5(11)3-4-6(12)13-8/h3-4H,2H2,1H3,(H,14,16,17).
What are the key properties of 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 303.17 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 24819412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).