N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide

C12H10N4OS — CID 166368353

IUPACN-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide
SMILESC#Cc1ccnc(N(CC)C(=O)c2cnns2)c1
InChIInChI=1S/C12H10N4OS/c1-3-9-5-6-13-11(7-9)16(4-2)12(17)10-8-14-15-18-10/h1,5-8H,4H2,2H3
InChIKeyUEMHDKVLUMILLY-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.58
Rot. Bonds3

About N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide

N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide (PubChem CID 166368353) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide
PubChem CID166368353
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide
SMILESC#Cc1ccnc(N(CC)C(=O)c2cnns2)c1
InChIInChI=1S/C12H10N4OS/c1-3-9-5-6-13-11(7-9)16(4-2)12(17)10-8-14-15-18-10/h1,5-8H,4H2,2H3
InChIKeyUEMHDKVLUMILLY-UHFFFAOYSA-N
XLogP1.58
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide (CID 166368353) is N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide is C#Cc1ccnc(N(CC)C(=O)c2cnns2)c1.
What is the InChIKey of N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide?
The InChIKey is UEMHDKVLUMILLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-3-9-5-6-13-11(7-9)16(4-2)12(17)10-8-14-15-18-10/h1,5-8H,4H2,2H3.
What are the key properties of N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide?
N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-ethynyl-2-pyridinyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 166368353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).