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

C10H9ClN4OS — CID 2085604

IUPAC6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(Cl)nc2)s1
InChIInChI=1S/C10H9ClN4OS/c1-2-8-14-15-10(17-8)13-9(16)6-3-4-7(11)12-5-6/h3-5H,2H2,1H3,(H,13,15,16)
InChIKeyJZCYYEZVAFWHHQ-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.40
Rot. Bonds3

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

6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 2085604) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID2085604
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(Cl)nc2)s1
InChIInChI=1S/C10H9ClN4OS/c1-2-8-14-15-10(17-8)13-9(16)6-3-4-7(11)12-5-6/h3-5H,2H2,1H3,(H,13,15,16)
InChIKeyJZCYYEZVAFWHHQ-UHFFFAOYSA-N
XLogP2.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.40
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 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 2085604) is 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCc1nnc(NC(=O)c2ccc(Cl)nc2)s1.
What is the InChIKey of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is JZCYYEZVAFWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-2-8-14-15-10(17-8)13-9(16)6-3-4-7(11)12-5-6/h3-5H,2H2,1H3,(H,13,15,16).
What are the key properties of 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 268.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2085604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).