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

C11H13N5OS — CID 112555384

IUPACN-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ncc(N)cc1C
InChIInChI=1S/C11H13N5OS/c1-3-8-9(18-16-15-8)11(17)14-10-6(2)4-7(12)5-13-10/h4-5H,3,12H2,1-2H3,(H,13,14,17)
InChIKeyNMPIFINDJHJQFK-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.64
Rot. Bonds3

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

N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 112555384) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID112555384
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ncc(N)cc1C
InChIInChI=1S/C11H13N5OS/c1-3-8-9(18-16-15-8)11(17)14-10-6(2)4-7(12)5-13-10/h4-5H,3,12H2,1-2H3,(H,13,14,17)
InChIKeyNMPIFINDJHJQFK-UHFFFAOYSA-N
XLogP1.64
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide (CID 112555384) is N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ncc(N)cc1C.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is NMPIFINDJHJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-3-8-9(18-16-15-8)11(17)14-10-6(2)4-7(12)5-13-10/h4-5H,3,12H2,1-2H3,(H,13,14,17).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide?
N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 112555384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).