N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide

C11H11ClN4OS — CID 107301174

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C11H11ClN4OS/c1-3-7-10(18-16-15-7)11(17)14-8-4-5-9(12)13-6(8)2/h4-5H,3H2,1-2H3,(H,14,17)
InChIKeyHPPXQQPAGPXAGC-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.71
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide

N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 107301174) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID107301174
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C11H11ClN4OS/c1-3-7-10(18-16-15-7)11(17)14-8-4-5-9(12)13-6(8)2/h4-5H,3H2,1-2H3,(H,14,17)
InChIKeyHPPXQQPAGPXAGC-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.71
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 N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide (CID 107301174) is N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is HPPXQQPAGPXAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-3-7-10(18-16-15-7)11(17)14-8-4-5-9(12)13-6(8)2/h4-5H,3H2,1-2H3,(H,14,17).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 107301174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).